CID 98259

4702-32-3

Structural Information

Molecular Formula

C₆H₆O₆

SMILES

C1C(C(OC1=O)C(=O)O)C(=O)O

InChI

InChI=1S/C6H6O6/c7-3-1-2(5(8)9)4(12-3)6(10)11/h2,4H,1H2,(H,8,9)(H,10,11)

InChIKey

UKZDIMBDWHZXOK-UHFFFAOYSA-N

Compound name

5-oxooxolane-2,3-dicarboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 182
Patents: 174.01643 Da
Monoisotopic Mass: -1.0
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]+	175.02371	132.8
[M+Na]+	197.00565	140.0
[M+NH4]+	192.05025	137.6
[M+K]+	212.97959	141.2
[M-H]-	173.00915	130.9
[M+Na-2H]-	194.99110	132.5
[M]+	174.01588	132.5
[M]-	174.01698	132.5

Literature stripe

literature stripe

Patent stripe

patents stripe