CID 146529

5-azidoquinoline

Structural Information

Molecular Formula

C₉H₆N₄

SMILES

C1=CC2=C(C=CC=N2)C(=C1)N=[N+]=[N-]

InChI

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

InChIKey

SLDBUWKWILPLJF-UHFFFAOYSA-N

Compound name

5-azidoquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 170.05925 Da
Monoisotopic Mass: 3.6
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]+	171.066526	128.8
[M+Na]+	193.048468	137.0
[M-H]-	169.051974	134.9
[M+NH4]+	188.093073	149.0
[M+K]+	209.022408	130.0
[M+H-H2O]+	153.056510	125.6
[M+HCOO]-	215.057451	158.9
[M+CH3COO]-	229.073101	182.7
[M+Na-2H]-	191.033916	143.5
[M]+	170.05870142	126.5
[M]-	170.05979858	126.5

Literature stripe

literature stripe

Patent stripe

patents stripe