CID 219640

1-hydroxycyclohexanecarboxylic acid

Structural Information

Molecular Formula

C₇H₁₂O₃

SMILES

C1CCC(CC1)(C(=O)O)O

InChI

InChI=1S/C7H12O3/c8-6(9)7(10)4-2-1-3-5-7/h10H,1-5H2,(H,8,9)

InChIKey

BPOVRAAUERBWFK-UHFFFAOYSA-N

Compound name

1-hydroxycyclohexane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3022
Patents: 144.07864 Da
Monoisotopic Mass: 0.7
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]+	145.08592	130.4
[M+Na]+	167.06786	135.6
[M-H]-	143.07136	130.9
[M+NH4]+	162.11246	152.0
[M+K]+	183.04180	134.7
[M+H-H2O]+	127.07590	126.5
[M+HCOO]-	189.07684	148.1
[M+CH3COO]-	203.09249	166.7
[M+Na-2H]-	165.05331	135.6
[M]+	144.07809	124.9
[M]-	144.07919	124.9

Literature stripe

literature stripe

Patent stripe

patents stripe