CID 88975

21622-08-2

Structural Information

Molecular Formula

C₇H₁₀O₂

SMILES

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

InChI

InChI=1S/C7H10O2/c8-7(9)5-6-3-1-2-4-6/h3H,1-2,4-5H2,(H,8,9)

InChIKey

QOGMZIQMZUXOKM-UHFFFAOYSA-N

Compound name

2-(cyclopenten-1-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 173
Patents: 126.06808 Da
Monoisotopic Mass: 0.9
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]+	127.07536	126.1
[M+Na]+	149.05730	135.7
[M+NH4]+	144.10190	134.4
[M+K]+	165.03124	132.6
[M-H]-	125.06080	126.5
[M+Na-2H]-	147.04275	130.5
[M]+	126.06753	127.3
[M]-	126.06863	127.3

Literature stripe

literature stripe

Patent stripe

patents stripe