CID 3413434

Ethyl 2-(methylamino)-2-oxoacetate

Structural Information

Molecular Formula
C5H9NO3
SMILES
CCOC(=O)C(=O)NC
InChI
InChI=1S/C5H9NO3/c1-3-9-5(8)4(7)6-2/h3H2,1-2H3,(H,6,7)
InChIKey
GVQZKKPQRSZDPW-UHFFFAOYSA-N
Compound name
ethyl 2-(methylamino)-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
Patents

131.05824 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.065516 125.5
[M+Na]+ 154.047458 132.6
[M-H]- 130.050964 126.2
[M+NH4]+ 149.092063 147.3
[M+K]+ 170.021398 133.7
[M+H-H2O]+ 114.055500 120.7
[M+HCOO]- 176.056441 149.8
[M+CH3COO]- 190.072091 172.7
[M+Na-2H]- 152.032906 130.8
[M]+ 131.05769142 127.0
[M]- 131.05878858 127.0
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