CID 10132

Mesoxalic acid

Structural Information

Molecular Formula

C₃H₂O₅

SMILES

C(=O)(C(=O)O)C(=O)O

InChI

InChI=1S/C3H2O5/c4-1(2(5)6)3(7)8/h(H,5,6)(H,7,8)

InChIKey

XEEVLJKYYUVTRC-UHFFFAOYSA-N

Compound name

2-oxopropanedioic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 34
References: 4684
Patents: 117.99023 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]+	118.99751	116.3
[M+Na]+	140.97945	123.9
[M-H]-	116.98295	114.4
[M+NH4]+	136.02405	136.9
[M+K]+	156.95339	124.6
[M+H-H2O]+	100.98749	112.4
[M+HCOO]-	162.98843	136.8
[M+CH3COO]-	177.00408	162.9
[M+Na-2H]-	138.96490	120.2
[M]+	117.98968	115.8
[M]-	117.99078	115.8

Literature stripe

literature stripe

Patent stripe

patents stripe