CID 5255726

3-hydroxycyclohexanecarboxylic acid

Structural Information

Molecular Formula

C₇H₁₂O₃

SMILES

C1CC(CC(C1)O)C(=O)O

InChI

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

InChIKey

JBZDHFKPEDWWJC-UHFFFAOYSA-N

Compound name

3-hydroxycyclohexane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 348
Patents: 144.07864 Da
Monoisotopic Mass: 0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	145.085916	129.5
[M+Na]+	167.067858	134.7
[M-H]-	143.071364	129.9
[M+NH4]+	162.112463	149.4
[M+K]+	183.041798	133.6
[M+H-H2O]+	127.075900	124.8
[M+HCOO]-	189.076841	147.2
[M+CH3COO]-	203.092491	168.4
[M+Na-2H]-	165.053306	132.9
[M]+	144.07809142	124.0
[M]-	144.07918858	124.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe