CID 95964

1-cyclopentenecarboxylic acid

Structural Information

Molecular Formula

C₆H₈O₂

SMILES

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

InChI

InChI=1S/C6H8O2/c7-6(8)5-3-1-2-4-5/h3H,1-2,4H2,(H,7,8)

InChIKey

PYRZPBDTPRQYKG-UHFFFAOYSA-N

Compound name

cyclopentene-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 8198
Patents: 112.05243 Da
Monoisotopic Mass: 1.2
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]+	113.05971	121.7
[M+Na]+	135.04165	131.5
[M+NH4]+	130.08625	130.1
[M+K]+	151.01559	128.6
[M-H]-	111.04515	122.0
[M+Na-2H]-	133.02710	126.3
[M]+	112.05188	122.8
[M]-	112.05298	122.8

Literature stripe

literature stripe

Patent stripe

patents stripe