CID 15579944

2-(1-methylcyclopropyl)acetic acid

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

CC1(CC1)CC(=O)O

InChI

InChI=1S/C6H10O2/c1-6(2-3-6)4-5(7)8/h2-4H2,1H3,(H,7,8)

InChIKey

AOPATQAZIRXNOX-UHFFFAOYSA-N

Compound name

2-(1-methylcyclopropyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 742
Patents: 114.06808 Da
Monoisotopic Mass: 1.2
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]+	115.07536	122.9
[M+Na]+	137.05730	132.4
[M-H]-	113.06080	126.8
[M+NH4]+	132.10190	141.9
[M+K]+	153.03124	131.5
[M+H-H2O]+	97.065340	119.0
[M+HCOO]-	159.06628	144.9
[M+CH3COO]-	173.08193	170.3
[M+Na-2H]-	135.04275	129.9
[M]+	114.06753	125.5
[M]-	114.06863	125.5

Literature stripe

literature stripe

Patent stripe

patents stripe