cyclohexane-1,3-diol(823-18-7) MS

Product Namecyclohexane-1,3-diol

CAS 823-18-7

Molecular FormulaC6H12O2

Molecular Weight116.16

InChIInChI=1/C6H12O2/c7-5-2-1-3-6(8)4-5/h5-8H,1-4H2/t5-,6+

InChIKey RLMGYIOTPQVQJR-OLQVQODUNA-N

Smiles[C@@H]1(O)CCC[C@H](O)C1 |&1:0,5,r|

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Mass

MS2010-04407CW      
cis-1,3-cyclohexanediol
C6H12O2             (Mass of molecular ion:    116)

   Source Temperature: 245 °C
   Sample Temperature:  25 °C
   Direct, 70 eV

      15.0       3.5
      18.0       1.2
      19.0       5.2
      26.0       2.7
      27.0      23.6
      28.0       6.4
      29.0      14.8
      31.0      11.2
      38.0       2.6
      39.0      26.8
      40.0       5.2
      41.0      43.5
      42.0      56.9
      43.0      50.0
      44.0     100.0
      45.0      30.6
      47.0       7.5
      50.0       1.8
      51.0       3.2
      52.0       1.1
      53.0       6.8
      54.0      69.7
      55.0      27.5
      56.0       7.6
      57.0      38.9
      58.0       3.1
      59.0       2.1
      62.0       1.1
      65.0       1.3
      67.0       4.0
      68.0       1.6
      69.0      23.4
      70.0      30.1
      71.0       7.2
      72.0       2.1
      73.0      58.8
      74.0       2.5
      75.0       2.1
      77.0       2.3
      79.0       5.7
      80.0      68.1
      81.0      11.8
      83.0      23.7
      84.0       1.3
      88.0       5.4
      97.0       9.7
      98.0      56.1
      99.0       4.6
     116.0       2.7

in DMSO-d6