CID 48

Alpha-ketoglutaramate

Structural Information

Molecular Formula
C5H7NO4
SMILES
C(CC(=O)N)C(=O)C(=O)O
InChI
InChI=1S/C5H7NO4/c6-4(8)2-1-3(7)5(9)10/h1-2H2,(H2,6,8)(H,9,10)
InChIKey
COJBGNAUUSNXHX-UHFFFAOYSA-N
Compound name
5-amino-2,5-dioxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

24
References

281
Patents

145.0375 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.04478 127.4
[M+Na]+ 168.02672 133.8
[M-H]- 144.03022 126.0
[M+NH4]+ 163.07132 147.1
[M+K]+ 184.00066 134.0
[M+H-H2O]+ 128.03476 122.6
[M+HCOO]- 190.03570 148.9
[M+CH3COO]- 204.05135 173.7
[M+Na-2H]- 166.01217 129.8
[M]+ 145.03695 126.2
[M]- 145.03805 126.2
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