498-95-3

Nipecotic acid(498-95-3) Raman

Product NameNipecotic acid

CAS 498-95-3

Molecular FormulaC6H11NO2

Molecular Weight129.16

InChIInChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9)

InChIKey XJLSEXAGTJCILF-UHFFFAOYSA-N

SmilesN1CCCC(C(O)=O)C1

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Nipecotic acid(498-95-3) Raman
Mass

MS-NW-1558          
3-piperidinecarboxylic acid
C6H11NO2            (Mass of molecular ion:    129)

   Source Temperature: 210 °C
   Sample Temperature: 220 °C
   Direct, 75 eV

      15.0       2.0
      18.0       1.3
      26.0       2.4
      27.0      14.2
      28.0      23.4
      29.0      22.6
      30.0      32.8
      38.0       1.0
      39.0       9.8
      40.0       1.9
      41.0       9.3
      42.0      20.2
      43.0      14.2
      44.0      16.0
      45.0       4.4
      50.0       1.2
      51.0       1.9
      52.0       1.7
      53.0       4.8
      54.0       6.1
      55.0      22.7
      56.0      81.9
      57.0     100.0
      58.0       3.8
      67.0       2.1
      68.0       5.9
      69.0       2.7
      70.0       7.1
      73.0      26.3
      74.0       1.2
      80.0       2.5
      81.0       1.3
      82.0      13.0
      83.0      13.6
      84.0      32.4
      85.0       2.7
     100.0       7.0
     101.0      11.1
     110.0       3.3
     112.0       1.3
     128.0      11.2
     129.0      25.2
     130.0       1.9