CID 560326

Dimethyloxalylglycine

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

296
References

901
Patents

175.04807 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.055346 133.8
[M+Na]+ 198.037288 140.5
[M-H]- 174.040794 134.4
[M+NH4]+ 193.081893 153.6
[M+K]+ 214.011228 142.2
[M+H-H2O]+ 158.045330 128.5
[M+HCOO]- 220.046271 157.5
[M+CH3COO]- 234.061921 179.3
[M+Na-2H]- 196.022736 137.5
[M]+ 175.04752142 137.2
[M]- 175.04861858 137.2
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