1-氰基乙酰哌啶(15029-30-8)質(zhì)譜(MS)

產(chǎn)品名稱:1-氰基乙酰哌啶

CAS:15029-30-8

分子式:C8H12N2O

分子量: 152.19

InChI:InChI=1S/C8H12N2O/c9-5-4-8(11)10-6-2-1-3-7-10/h1-4,6-7H2

InChIKey: ANLQHFYDQPMDJY-UHFFFAOYSA-N

Smiles:N1(CCCCC1)C(=O)CC#N

Mass

MS-IW-0013          
3-piperidinoglyoxylonitrile
C8H12N2O            (Mass of molecular ion:    152)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       4.2
      17.0       1.5
      18.0       7.4
      26.0       1.9
      27.0      12.9
      28.0      19.3
      29.0      11.6
      30.0      11.2
      39.0      11.9
      40.0      12.5
      41.0      54.5
      42.0      28.3
      43.0      17.0
      44.0      22.4
      45.0       1.3
      51.0       1.1
      52.0       1.3
      53.0       3.9
      54.0       8.2
      55.0      19.2
      56.0      41.9
      57.0      12.7
      58.0       1.2
      67.0       8.6
      68.0      29.4
      69.0      55.9
      70.0      19.0
      71.0       1.4
      72.0       2.2
      73.0       2.5
      80.0       3.6
      81.0       3.0
      82.0      22.4
      83.0      37.0
      84.0      40.9
      85.0       5.1
      86.0       1.2
      95.0       2.7
      96.0       3.6
      97.0      20.9
      98.0       4.0
     108.0       1.3
     109.0      23.5
     110.0      23.8
     111.0       7.3
     112.0      25.6
     113.0       1.8
     123.0      10.7
     124.0       3.8
     125.0       5.5
     137.0       6.1
     151.0      19.5
     152.0     100.0
     153.0      12.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₁₂ N₂ O	0.033 g : 0.5 ml CDCl₃
3-piperidinoglyoxylonitrile

    Assign.     Shift(ppm)

      A             3.570
      B             3.524
      C             3.394
      D     *1      1.68
      E     *1      1.65
      F             1.586
     
     ASSIGNED BY C-H AND H-H COSY.

     Hz     ppm     Int.

   1432.50   3.585    174
   1426.88   3.571    192
   1421.39   3.557    164
   1413.45   3.537     41
   1408.45   3.525   1000
   1403.20   3.512     36
   1361.82   3.408    146
   1355.83   3.393    174
   1351.32   3.382    129
    679.57   1.701     45
    677.00   1.694     59
    675.17   1.690     75
    672.00   1.682    114
    667.72   1.671    210
    665.16   1.665    258
    663.45   1.661    218
    659.06   1.650    131
    651.73   1.631     66
    648.19   1.622     48
    644.53   1.613     61
    642.58   1.608     57
    639.16   1.600    105
    633.42   1.585    130
    628.42   1.573     88
    622.44   1.558     39

in CDCl3