CID 159484

2-nitroimidazole-1-acetohydroxamic acid

Structural Information

Molecular Formula
C5H6N4O4
SMILES
C1=CN(C(=N1)[N+](=O)[O-])CC(=O)NO
InChI
InChI=1S/C5H6N4O4/c10-4(7-11)3-8-2-1-6-5(8)9(12)13/h1-2,11H,3H2,(H,7,10)
InChIKey
KAIQUJDTIFXCLP-UHFFFAOYSA-N
Compound name
N-hydroxy-2-(2-nitroimidazol-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

1
Patents

186.03891 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.04619 132.4
[M+Na]+ 209.02813 139.4
[M-H]- 185.03163 132.8
[M+NH4]+ 204.07273 149.2
[M+K]+ 225.00207 134.7
[M+H-H2O]+ 169.03617 129.8
[M+HCOO]- 231.03711 156.7
[M+CH3COO]- 245.05276 172.3
[M+Na-2H]- 207.01358 140.4
[M]+ 186.03836 130.1
[M]- 186.03946 130.1
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