CID 86022

2,3-oxiranedicarboxylic acid

Structural Information

Molecular Formula

C₄H₄O₅

SMILES

C1(C(O1)C(=O)O)C(=O)O

InChI

InChI=1S/C4H4O5/c5-3(6)1-2(9-1)4(7)8/h1-2H,(H,5,6)(H,7,8)

InChIKey

DCEMCPAKSGRHCN-UHFFFAOYSA-N

Compound name

oxirane-2,3-dicarboxylic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 32
References: 5323
Patents: 132.00587 Da
Monoisotopic Mass: -0.9
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]+	133.01315	120.7
[M+Na]+	154.99509	130.8
[M-H]-	130.99859	124.2
[M+NH4]+	150.03969	135.2
[M+K]+	170.96903	130.2
[M+H-H2O]+	115.00313	115.6
[M+HCOO]-	177.00407	140.9
[M+CH3COO]-	191.01972	169.7
[M+Na-2H]-	152.98054	126.4
[M]+	132.00532	124.5
[M]-	132.00642	124.5

Literature stripe

literature stripe

Patent stripe

patents stripe