CID 124138234

2056072-58-1

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: 36
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]+	131.033886	121.3
[M+Na]+	153.015828	128.9
[M-H]-	129.019334	124.4
[M+NH4]+	148.060433	142.9
[M+K]+	168.989768	129.8
[M+H-H2O]+	113.023870	117.1
[M+HCOO]-	175.024811	142.8
[M+CH3COO]-	189.040461	165.8
[M+Na-2H]-	151.001276	126.2
[M]+	130.02606142	120.4
[M]-	130.02715858	120.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe