CID 84674

4-azidoaniline

Structural Information

Molecular Formula

C₆H₆N₄

SMILES

C1=CC(=CC=C1N)N=[N+]=[N-]

InChI

InChI=1S/C6H6N4/c7-5-1-3-6(4-2-5)9-10-8/h1-4H,7H2

InChIKey

SSMVDPYHLFEAJE-UHFFFAOYSA-N

Compound name

4-azidoaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 13
References: 1214
Patents: 134.05925 Da
Monoisotopic Mass: 2.3
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]+	135.06653	120.6
[M+Na]+	157.04847	128.0
[M-H]-	133.05197	126.9
[M+NH4]+	152.09307	142.0
[M+K]+	173.02241	122.4
[M+H-H2O]+	117.05651	118.7
[M+HCOO]-	179.05745	153.3
[M+CH3COO]-	193.07310	177.4
[M+Na-2H]-	155.03392	132.5
[M]+	134.05870	116.3
[M]-	134.05980	116.3

Literature stripe

literature stripe

Patent stripe

patents stripe