CID 14200856

56172-71-5

Structural Information

Molecular Formula

C₆H₈O₃

SMILES

CC(=O)C1(CC1)C(=O)O

InChI

InChI=1S/C6H8O3/c1-4(7)6(2-3-6)5(8)9/h2-3H2,1H3,(H,8,9)

InChIKey

JIOYLBIVCRZUEQ-UHFFFAOYSA-N

Compound name

1-acetylcyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 172
Patents: 128.04735 Da
Monoisotopic Mass: 0.0
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]+	129.05463	128.6
[M+Na]+	151.03657	139.5
[M+NH4]+	146.08117	137.6
[M+K]+	167.01051	135.7
[M-H]-	127.04007	134.8
[M+Na-2H]-	149.02202	136.1
[M]+	128.04680	132.9
[M]-	128.04790	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe