CID 11815885

3-azidoaniline hydrochloride

Structural Information

Molecular Formula

C₆H₆N₄

SMILES

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

InChI

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

InChIKey

QNLSJPUEPXAOGG-UHFFFAOYSA-N

Compound name

3-azidoaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 134.05925 Da
Monoisotopic Mass: 2.2
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	122.9
[M+Na]+	157.04847	135.8
[M+NH4]+	152.09307	132.5
[M+K]+	173.02241	130.9
[M-H]-	133.05197	129.6
[M+Na-2H]-	155.03392	132.1
[M]+	134.05870	126.4
[M]-	134.05980	126.4

Literature stripe

literature stripe

Patent stripe

patents stripe