CID 39871613

116569-00-7

Structural Information

Molecular Formula

C₇H₁₀O₄

SMILES

COC(=O)C1CC(C1)C(=O)O

InChI

InChI=1S/C7H10O4/c1-11-7(10)5-2-4(3-5)6(8)9/h4-5H,2-3H2,1H3,(H,8,9)

InChIKey

AJAHGOJIRQOMLK-UHFFFAOYSA-N

Compound name

3-methoxycarbonylcyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 85
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	134.8
[M+Na]+	181.04712	139.1
[M+NH4]+	176.09172	137.2
[M+K]+	197.02106	138.1
[M-H]-	157.05062	130.7
[M+Na-2H]-	179.03257	134.5
[M]+	158.05735	132.6
[M]-	158.05845	132.6

Literature stripe

literature stripe

Patent stripe

patents stripe