CID 440065

N-methyl-2-oxoglutaramic acid

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
2
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 131.7
[M+Na]+ 182.04238 137.8
[M-H]- 158.04588 130.7
[M+NH4]+ 177.08698 151.2
[M+K]+ 198.01632 138.1
[M+H-H2O]+ 142.05042 126.8
[M+HCOO]- 204.05136 153.6
[M+CH3COO]- 218.06701 176.7
[M+Na-2H]- 180.02783 134.7
[M]+ 159.05261 131.9
[M]- 159.05371 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