CID 13012726

A-ketoglutaric acid oxime

Structural Information

Molecular Formula
C5H7NO5
SMILES
C(CC(=O)O)/C(=N\O)/C(=O)O
InChI
InChI=1S/C5H7NO5/c7-4(8)2-1-3(6-11)5(9)10/h11H,1-2H2,(H,7,8)(H,9,10)/b6-3+
InChIKey
RSXBEVMDACDZRB-ZZXKWVIFSA-N
Compound name
(2E)-2-hydroxyiminopentanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

161.03242 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.03970 130.2
[M+Na]+ 184.02164 136.1
[M-H]- 160.02514 127.8
[M+NH4]+ 179.06624 148.7
[M+K]+ 199.99558 136.3
[M+H-H2O]+ 144.02968 125.2
[M+HCOO]- 206.03062 151.0
[M+CH3COO]- 220.04627 173.4
[M+Na-2H]- 182.00709 133.2
[M]+ 161.03187 129.5
[M]- 161.03297 129.5
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