CID 210950

1-methyl-6-nitroquinolinium iodide

Structural Information

Molecular Formula

C₁₀H₉N₂O₂

SMILES

C[N+]1=CC=CC2=C1C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C10H9N2O2/c1-11-6-2-3-8-7-9(12(13)14)4-5-10(8)11/h2-7H,1H3/q+1

InChIKey

LLYZFBHYXVCCEV-UHFFFAOYSA-N

Compound name

1-methyl-6-nitroquinolin-1-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 189.0664 Da
Monoisotopic Mass: 1.5
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]+	190.07368	136.5
[M+Na]+	212.05562	154.3
[M+NH4]+	207.10022	147.0
[M+K]+	228.02956	150.0
[M-H]-	188.05912	142.6
[M+Na-2H]-	210.04107	145.4
[M]+	189.06585	141.2
[M]-	189.06695	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe