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

3846
Patents

88.016045 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 89.023321 110.6
[M+Na]+ 111.00526 119.6
[M-H]- 87.008769 111.7
[M+NH4]+ 106.04987 134.5
[M+K]+ 126.97920 120.9
[M+H-H2O]+ 71.013305 106.8
[M+HCOO]- 133.01425 135.6
[M+CH3COO]- 147.02990 162.3
[M+Na-2H]- 108.99071 118.3
[M]+ 88.015496 113.1
[M]- 88.016594 113.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.