3685-26-5

trans-4-Hydroxycyclohexanecarboxylic acid(3685-26-5) IR2

Product Nametrans-4-Hydroxycyclohexanecarboxylic acid

CAS 3685-26-5

Molecular FormulaC7H12O3

Molecular Weight144.17

InChIInChI=1S/C7H12O3/c8-6-3-1-5(2-4-6)7(9)10/h5-6,8H,1-4H2,(H,9,10)/t5-,6-

InChIKey HCFRWBBJISAZNK-IZLXSQMJSA-N

Smiles[C@@H]1(C(O)=O)CC[C@@H](O)CC1

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trans-4-Hydroxycyclohexanecarboxylic acid(3685-26-5) IR2
Mass

MS-KW-0962          
trans-4-hydroxycyclohexanecarboxylic acid
C7H12O3             (Mass of molecular ion:    144)

   Source Temperature: 150 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      15.0       1.4
      17.0       6.1
      18.0      31.1
      26.0       2.3
      27.0      17.6
      28.0       6.4
      29.0      11.1
      31.0       3.6
      37.0       1.0
      38.0       2.5
      39.0      22.5
      40.0       4.1
      41.0      26.0
      42.0      21.3
      43.0      13.5
      44.0      13.9
      45.0       4.3
      50.0       3.9
      51.0       6.5
      52.0       5.6
      53.0       9.5
      54.0      24.9
      55.0      32.3
      56.0       6.3
      57.0      15.7
      60.0      15.0
      63.0       1.1
      65.0       3.5
      66.0       2.7
      67.0      32.4
      68.0       4.5
      69.0      10.3
      70.0      46.2
      71.0       4.3
      73.0      41.0
      74.0       2.3
      77.0      14.3
      78.0       4.6
      79.0      40.1
      80.0      24.5
      81.0      25.0
      82.0      15.0
      83.0       8.0
      84.0       3.5
      86.0       1.0
      87.0       1.3
      88.0      32.6
      89.0       1.6
      97.0       8.3
      98.0      35.3
      99.0       2.7
     101.0       2.2
     105.0       1.2
     106.0       1.0
     107.0       1.6
     108.0      54.1
     109.0       5.3
     110.0       1.0
     111.0       1.5
     116.0      11.5
     125.0       1.4
     126.0     100.0
     127.0       9.3
     128.0       1.4
     144.0       1.5

in DMSO-d6