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

3629
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

literature stripe

Patent stripe

patents stripe