626-51-7

3-Methylglutaric acid(626-51-7) IR3

Product Name3-Methylglutaric acid

CAS 626-51-7

Molecular FormulaC6H10O4

Molecular Weight146.14

InChIInChI=1S/C6H10O4/c1-4(2-5(7)8)3-6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10)

InChIKey XJMMNTGIMDZPMU-UHFFFAOYSA-N

SmilesC(O)(=O)CC(C)CC(O)=O

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3-Methylglutaric acid(626-51-7) IR3
Mass

MS-NW-2262          
3-methylglutaric acid
C6H10O4             (Mass of molecular ion:    146)

   Source Temperature: 130 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      14.0       1.6
      15.0       4.0
      17.0       3.2
      18.0      15.9
      26.0       2.4
      27.0      24.3
      28.0       5.6
      29.0      17.4
      31.0       6.6
      37.0       1.4
      38.0       3.4
      39.0      28.6
      40.0       5.6
      41.0      63.4
      42.0      48.8
      43.0      48.7
      44.0       2.2
      45.0      31.2
      50.0       1.4
      51.0       1.4
      53.0       3.5
      54.0       5.7
      55.0      17.2
      56.0      20.9
      57.0      11.1
      58.0       9.5
      59.0      12.9
      60.0      55.9
      61.0       1.9
      68.0       2.8
      69.0      84.3
      70.0       3.8
      71.0       4.5
      72.0      41.4
      73.0       2.1
      82.0       7.1
      83.0       3.0
      84.0       5.0
      85.0       9.5
      86.0       2.2
      87.0      60.7
      88.0       2.6
      89.0       1.0
      95.0       1.0
      99.0       2.2
     100.0     100.0
     101.0       7.0
     102.0       1.4
     113.0       5.0
     127.0       1.0
     128.0      19.3
     129.0       4.8