CID 70205

Methyl glyoxylate

Structural Information

Molecular Formula

C₃H₄O₃

SMILES

COC(=O)C=O

InChI

InChI=1S/C3H4O3/c1-6-3(5)2-4/h2H,1H3

InChIKey

KFKXSMSQHIOMSO-UHFFFAOYSA-N

Compound name

methyl 2-oxoacetate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 10
References: 1985
Patents: 88.016045 Da
Monoisotopic Mass: 0.0
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]+	89.023321	112.9
[M+Na]+	111.00526	123.5
[M+NH4]+	106.04987	120.4
[M+K]+	126.97920	119.4
[M-H]-	87.008769	111.4
[M+Na-2H]-	108.99071	116.9
[M]+	88.015496	113.7
[M]-	88.016594	113.7

Literature stripe

literature stripe

Patent stripe

patents stripe