CID 151138

4-hydroxycyclohexanecarboxylic acid

Structural Information

Molecular Formula
C7H12O3
SMILES
C1CC(CCC1C(=O)O)O
InChI
InChI=1S/C7H12O3/c8-6-3-1-5(2-4-6)7(9)10/h5-6,8H,1-4H2,(H,9,10)
InChIKey
HCFRWBBJISAZNK-UHFFFAOYSA-N
Compound name
4-hydroxycyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

3666
Patents

144.07864 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08592 129.5
[M+Na]+ 167.06786 134.7
[M-H]- 143.07136 129.9
[M+NH4]+ 162.11246 149.4
[M+K]+ 183.04180 133.6
[M+H-H2O]+ 127.07590 124.8
[M+HCOO]- 189.07684 147.2
[M+CH3COO]- 203.09249 168.4
[M+Na-2H]- 165.05331 132.9
[M]+ 144.07809 124.0
[M]- 144.07919 124.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe