CID 145908100

2106639-41-0

Structural Information

Molecular Formula

C₇H₁₀O₄

SMILES

COC(=O)C1(CC1)CC(=O)O

InChI

InChI=1S/C7H10O4/c1-11-6(10)7(2-3-7)4-5(8)9/h2-4H2,1H3,(H,8,9)

InChIKey

VOTNTGATTLAURM-UHFFFAOYSA-N

Compound name

2-(1-methoxycarbonylcyclopropyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 158.0579 Da
Monoisotopic Mass: -0.1
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]+	159.06518	135.8
[M+Na]+	181.04712	146.2
[M+NH4]+	176.09172	144.2
[M+K]+	197.02106	142.6
[M-H]-	157.05062	141.6
[M+Na-2H]-	179.03257	142.7
[M]+	158.05735	139.9
[M]-	158.05845	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.