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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	187.04619	133.5
[M+Na]+	209.02813	142.5
[M+NH4]+	204.07273	138.6
[M+K]+	225.00207	144.5
[M-H]-	185.03163	133.0
[M+Na-2H]-	207.01358	136.8
[M]+	186.03836	133.9
[M]-	186.03946	133.9

Literature stripe

literature stripe

Patent stripe

patents stripe