CID 67500865

2-(1-vinylcyclopropyl)acetic acid

Structural Information

Molecular Formula

C₇H₁₀O₂

SMILES

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

InChI

InChI=1S/C7H10O2/c1-2-7(3-4-7)5-6(8)9/h2H,1,3-5H2,(H,8,9)

InChIKey

VMXFLQZLCQIDFM-UHFFFAOYSA-N

Compound name

2-(1-ethenylcyclopropyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 126.06808 Da
Monoisotopic Mass: 1.5
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	128.7
[M+Na]+	149.05730	140.2
[M+NH4]+	144.10190	138.2
[M+K]+	165.03124	135.0
[M-H]-	125.06080	135.6
[M+Na-2H]-	147.04275	136.8
[M]+	126.06753	133.3
[M]-	126.06863	133.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe