CID 138440

Cyclopropylacetic acid

Structural Information

Molecular Formula

C₅H₈O₂

SMILES

C1CC1CC(=O)O

InChI

InChI=1S/C5H8O2/c6-5(7)3-4-1-2-4/h4H,1-3H2,(H,6,7)

InChIKey

KVVDRQDTODKIJD-UHFFFAOYSA-N

Compound name

2-cyclopropylacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 6037
Patents: 100.05243 Da
Monoisotopic Mass: 0.8
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]+	101.05971	119.6
[M+Na]+	123.04165	131.2
[M+NH4]+	118.08625	128.3
[M+K]+	139.01559	128.2
[M-H]-	99.045154	126.6
[M+Na-2H]-	121.02710	126.8
[M]+	100.05188	124.1
[M]-	100.05298	124.1

Literature stripe

literature stripe

Patent stripe

patents stripe