CID 59507580

944401-83-6

Structural Information

Molecular Formula

C₉H₆N₂O₃

SMILES

C1=CC2=NC=C(C=C2C=C1O)[N+](=O)[O-]

InChI

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

InChIKey

CWBIJDQUYFAUKV-UHFFFAOYSA-N

Compound name

3-nitroquinolin-6-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 190.03784 Da
Monoisotopic Mass: 1.6
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

No literature data available for this compound.

Patent stripe

patents stripe