CID 121858

4812-40-2

Structural Information

Molecular Formula

C₆H₉N₃O₄

SMILES

C1=C(N(C(=N1)CO)CCO)[N+](=O)[O-]

InChI

InChI=1S/C6H9N3O4/c10-2-1-8-5(4-11)7-3-6(8)9(12)13/h3,10-11H,1-2,4H2

InChIKey

AEHPOYAOLCAMIU-UHFFFAOYSA-N

Compound name

2-[2-(hydroxymethyl)-5-nitroimidazol-1-yl]ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 35
References: 95
Patents: 187.05931 Da
Monoisotopic Mass: -1.3
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]+	188.06659	135.8
[M+Na]+	210.04853	146.0
[M+NH4]+	205.09313	141.3
[M+K]+	226.02247	147.1
[M-H]-	186.05203	135.0
[M+Na-2H]-	208.03398	138.7
[M]+	187.05876	136.4
[M]-	187.05986	136.4

Literature stripe

literature stripe

Patent stripe

patents stripe