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]+	143.070266	127.5
[M+Na]+	165.052208	133.7
[M-H]-	141.055714	128.3
[M+NH4]+	160.096813	147.5
[M+K]+	181.026148	132.4
[M+H-H2O]+	125.060250	122.8
[M+HCOO]-	187.061191	146.7
[M+CH3COO]-	201.076841	167.9
[M+Na-2H]-	163.037656	131.9
[M]+	142.06244142	123.4
[M]-	142.06353858	123.4

Literature stripe

literature stripe

Patent stripe

patents stripe