CID 18614353

3-methylenecyclopentanecarboxylic acid

Structural Information

Molecular Formula

C₇H₁₀O₂

SMILES

C=C1CCC(C1)C(=O)O

InChI

InChI=1S/C7H10O2/c1-5-2-3-6(4-5)7(8)9/h6H,1-4H2,(H,8,9)

InChIKey

KXWCTOFUEWEPHD-UHFFFAOYSA-N

Compound name

3-methylidenecyclopentane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
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	126.8
[M+Na]+	149.05730	135.9
[M+NH4]+	144.10190	134.7
[M+K]+	165.03124	133.0
[M-H]-	125.06080	126.7
[M+Na-2H]-	147.04275	129.9
[M]+	126.06753	127.6
[M]-	126.06863	127.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe