CID 2843951

N-methyl-5-nitroquinolin-8-amine

Structural Information

Molecular Formula

C₁₀H₉N₃O₂

SMILES

CNC1=C2C(=C(C=C1)[N+](=O)[O-])C=CC=N2

InChI

InChI=1S/C10H9N3O2/c1-11-8-4-5-9(13(14)15)7-3-2-6-12-10(7)8/h2-6,11H,1H3

InChIKey

DPGGPHUMELSDSV-UHFFFAOYSA-N

Compound name

N-methyl-5-nitroquinolin-8-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 203.06947 Da
Monoisotopic Mass: 2.0
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]+	204.07675	138.9
[M+Na]+	226.05869	153.4
[M+NH4]+	221.10329	147.8
[M+K]+	242.03263	149.2
[M-H]-	202.06219	143.4
[M+Na-2H]-	224.04414	146.6
[M]+	203.06892	142.1
[M]-	203.07002	142.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.