CID 19910

Nitroxoline

Structural Information

Molecular Formula

C₉H₆N₂O₃

SMILES

C1=CC2=C(C=CC(=C2N=C1)O)[N+](=O)[O-]

InChI

InChI=1S/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H

InChIKey

RJIWZDNTCBHXAL-UHFFFAOYSA-N

Compound name

5-nitroquinolin-8-ol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 160
References: 3678
Patents: 190.03784 Da
Monoisotopic Mass: 2.1
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]+	191.04512	134.1
[M+Na]+	213.02706	149.1
[M+NH4]+	208.07166	142.7
[M+K]+	229.00100	145.5
[M-H]-	189.03056	137.4
[M+Na-2H]-	211.01251	141.4
[M]+	190.03729	137.1
[M]-	190.03839	137.1

Literature stripe

literature stripe

Patent stripe

patents stripe