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: 47
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]+	135.066526	120.6
[M+Na]+	157.048468	128.0
[M-H]-	133.051974	126.9
[M+NH4]+	152.093073	142.0
[M+K]+	173.022408	122.4
[M+H-H2O]+	117.056510	118.7
[M+HCOO]-	179.057451	153.3
[M+CH3COO]-	193.073101	177.4
[M+Na-2H]-	155.033916	132.5
[M]+	134.05870142	116.3
[M]-	134.05979858	116.3

Literature stripe

literature stripe

Patent stripe

patents stripe