CID 560326

Dmog

Structural Information

Molecular Formula
C6H9NO5
SMILES
COC(=O)CNC(=O)C(=O)OC
InChI
InChI=1S/C6H9NO5/c1-11-4(8)3-7-5(9)6(10)12-2/h3H2,1-2H3,(H,7,9)
InChIKey
BNJOZDZCRHCODO-UHFFFAOYSA-N
Compound name
methyl 2-[(2-methoxy-2-oxoethyl)amino]-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

291
References

1037
Patents

175.04807 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.05535 135.8
[M+Na]+ 198.03729 142.9
[M+NH4]+ 193.08189 140.6
[M+K]+ 214.01123 141.2
[M-H]- 174.04079 132.6
[M+Na-2H]- 196.02274 136.8
[M]+ 175.04752 135.2
[M]- 175.04862 135.2
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