CID 120842

936-83-4

Structural Information

Molecular Formula

C₇H₁₀O₄

SMILES

C1COC(=O)C1CCC(=O)O

InChI

InChI=1S/C7H10O4/c8-6(9)2-1-5-3-4-11-7(5)10/h5H,1-4H2,(H,8,9)

InChIKey

YUFJCZZAZUVXGI-UHFFFAOYSA-N

Compound name

3-(2-oxooxolan-3-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
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	132.1
[M+Na]+	181.04712	140.6
[M+NH4]+	176.09172	138.8
[M+K]+	197.02106	139.2
[M-H]-	157.05062	132.3
[M+Na-2H]-	179.03257	133.9
[M]+	158.05735	132.9
[M]-	158.05845	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe