CID 146530

6-azidoquinoline

Structural Information

Molecular Formula

C₉H₆N₄

SMILES

C1=CC2=C(C=CC(=C2)N=[N+]=[N-])N=C1

InChI

InChI=1S/C9H6N4/c10-13-12-8-3-4-9-7(6-8)2-1-5-11-9/h1-6H

InChIKey

LBKAILRKHYAVEL-UHFFFAOYSA-N

Compound name

6-azidoquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 170.05925 Da
Monoisotopic Mass: 3.1
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]+	171.06653	128.8
[M+Na]+	193.04847	137.0
[M-H]-	169.05197	134.9
[M+NH4]+	188.09307	149.0
[M+K]+	209.02241	130.0
[M+H-H2O]+	153.05651	125.6
[M+HCOO]-	215.05745	158.9
[M+CH3COO]-	229.07310	182.7
[M+Na-2H]-	191.03392	143.5
[M]+	170.05870	126.5
[M]-	170.05980	126.5

Literature stripe

literature stripe

Patent stripe

patents stripe