CID 137014690

5-nitroisoquinolin-6-ol

Structural Information

Molecular Formula

C₉H₆N₂O₃

SMILES

C1=CC(=C(C2=C1C=NC=C2)[N+](=O)[O-])O

InChI

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

InChIKey

ZQVUOVYLTRVHDQ-UHFFFAOYSA-N

Compound name

5-nitroisoquinolin-6-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
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

No literature data available for this compound.

Patent stripe

patents stripe