CID 11748

Methyl pyruvate

Structural Information

Molecular Formula
C4H6O3
SMILES
CC(=O)C(=O)OC
InChI
InChI=1S/C4H6O3/c1-3(5)4(6)7-2/h1-2H3
InChIKey
CWKLZLBVOJRSOM-UHFFFAOYSA-N
Compound name
methyl 2-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

76
References

36341
Patents

102.03169 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.038966 115.4
[M+Na]+ 125.020908 123.7
[M-H]- 101.024414 116.4
[M+NH4]+ 120.065513 138.7
[M+K]+ 140.994848 125.2
[M+H-H2O]+ 85.028950 111.5
[M+HCOO]- 147.029891 139.1
[M+CH3COO]- 161.045541 166.2
[M+Na-2H]- 123.006356 121.3
[M]+ 102.03114142 117.6
[M]- 102.03223858 117.6
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