CID 55299090

127943-85-5

Structural Information

Molecular Formula

C₇H₁₀O₃

SMILES

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

InChI

InChI=1S/C7H10O3/c8-6-3-1-2-5(4-6)7(9)10/h4,6,8H,1-3H2,(H,9,10)

InChIKey

XTUWBPMQHYBTNC-UHFFFAOYSA-N

Compound name

3-hydroxycyclohexene-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 142.06299 Da
Monoisotopic Mass: 0.2
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]+	143.07027	127.9
[M+Na]+	165.05221	138.0
[M+NH4]+	160.09681	135.6
[M+K]+	181.02615	133.9
[M-H]-	141.05571	128.1
[M+Na-2H]-	163.03766	132.1
[M]+	142.06244	129.0
[M]-	142.06354	129.0

Literature stripe

literature stripe

Patent stripe

patents stripe