CID 12052398

Methyl 2-amino-3-oxobutanoate

Structural Information

Molecular Formula
C5H9NO3
SMILES
CC(=O)C(C(=O)OC)N
InChI
InChI=1S/C5H9NO3/c1-3(7)4(6)5(8)9-2/h4H,6H2,1-2H3
InChIKey
JJJKPDCCZFMOJD-UHFFFAOYSA-N
Compound name
methyl 2-amino-3-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

131.05824 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.065516 125.8
[M+Na]+ 154.047458 132.5
[M-H]- 130.050964 126.0
[M+NH4]+ 149.092063 147.1
[M+K]+ 170.021398 133.7
[M+H-H2O]+ 114.055500 121.1
[M+HCOO]- 176.056441 148.5
[M+CH3COO]- 190.072091 174.4
[M+Na-2H]- 152.032906 128.8
[M]+ 131.05769142 125.8
[M]- 131.05878858 125.8
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