CID 124138234

4-oxooxolane-2-carboxylic acid

Structural Information

Molecular Formula

C₅H₆O₄

SMILES

C1C(OCC1=O)C(=O)O

InChI

InChI=1S/C5H6O4/c6-3-1-4(5(7)8)9-2-3/h4H,1-2H2,(H,7,8)

InChIKey

UWONJGBQYPCSEH-UHFFFAOYSA-N

Compound name

4-oxooxolane-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 130.02661 Da
Monoisotopic Mass: -0.7
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]+	131.03389	123.3
[M+Na]+	153.01583	132.2
[M+NH4]+	148.06043	130.2
[M+K]+	168.98977	131.3
[M-H]-	129.01933	123.5
[M+Na-2H]-	151.00128	125.5
[M]+	130.02606	124.1
[M]-	130.02716	124.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe