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

43
Patents

159.05316 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.06044 133.2
[M+Na]+ 182.04238 140.1
[M+NH4]+ 177.08698 138.1
[M+K]+ 198.01632 138.2
[M-H]- 158.04588 129.9
[M+Na-2H]- 180.02783 134.0
[M]+ 159.05261 132.5
[M]- 159.05371 132.5
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