CID 138440

5239-82-7

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: 6786
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	117.9
[M+Na]+	123.04165	127.2
[M-H]-	99.045154	121.6
[M+NH4]+	118.08625	135.6
[M+K]+	139.01559	125.7
[M+H-H2O]+	83.049690	112.9
[M+HCOO]-	145.05063	140.6
[M+CH3COO]-	159.06628	167.8
[M+Na-2H]-	121.02710	124.5
[M]+	100.05188	119.8
[M]-	100.05298	119.8

Literature stripe

literature stripe

Patent stripe

patents stripe