CID 636468

21461-84-7

Structural Information

Molecular Formula

C₅H₆O₄

SMILES

C1CC(=O)O[C@@H]1C(=O)O

InChI

InChI=1S/C5H6O4/c6-4-2-1-3(9-4)5(7)8/h3H,1-2H2,(H,7,8)/t3-/m0/s1

InChIKey

QVADRSWDTZDDGR-VKHMYHEASA-N

Compound name

(2S)-5-oxooxolane-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 1360
Patents: 130.02661 Da
Monoisotopic Mass: -0.2
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

literature stripe

Patent stripe

patents stripe