CID 55299642

2-(2,2-dimethylcyclopropyl)acetic acid

Structural Information

Molecular Formula

C₇H₁₂O₂

SMILES

CC1(CC1CC(=O)O)C

InChI

InChI=1S/C7H12O2/c1-7(2)4-5(7)3-6(8)9/h5H,3-4H2,1-2H3,(H,8,9)

InChIKey

VFUARBOQJAZFBL-UHFFFAOYSA-N

Compound name

2-(2,2-dimethylcyclopropyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 128.08372 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]+	129.09100	128.1
[M+Na]+	151.07294	139.9
[M+NH4]+	146.11754	137.9
[M+K]+	167.04688	135.0
[M-H]-	127.07644	135.3
[M+Na-2H]-	149.05839	136.2
[M]+	128.08317	132.9
[M]-	128.08427	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe