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

15
Patents

131.05824 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.06552 126.4
[M+Na]+ 154.04746 134.3
[M+NH4]+ 149.09206 132.6
[M+K]+ 170.02140 132.0
[M-H]- 130.05096 124.4
[M+Na-2H]- 152.03291 128.2
[M]+ 131.05769 126.4
[M]- 131.05879 126.4
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