CID 440065

N-methyl-2-oxoglutaramate

Structural Information

Molecular Formula
C6H9NO4
SMILES
CNC(=O)CCC(=O)C(=O)O
InChI
InChI=1S/C6H9NO4/c1-7-5(9)3-2-4(8)6(10)11/h2-3H2,1H3,(H,7,9)(H,10,11)
InChIKey
MOIJYNHJLPUMNX-UHFFFAOYSA-N
Compound name
5-(methylamino)-2,5-dioxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

159.05316 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.060436 131.7
[M+Na]+ 182.042378 137.8
[M-H]- 158.045884 130.7
[M+NH4]+ 177.086983 151.2
[M+K]+ 198.016318 138.1
[M+H-H2O]+ 142.050420 126.8
[M+HCOO]- 204.051361 153.6
[M+CH3COO]- 218.067011 176.7
[M+Na-2H]- 180.027826 134.7
[M]+ 159.05261142 131.9
[M]- 159.05370858 131.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe