CID 20978656

2-(2h-1,2,3-triazol-2-yl)aniline hydrochloride

Structural Information

Molecular Formula

C₈H₈N₄

SMILES

C1=CC=C(C(=C1)N)N2N=CC=N2

InChI

InChI=1S/C8H8N4/c9-7-3-1-2-4-8(7)12-10-5-6-11-12/h1-6H,9H2

InChIKey

CNJVJYWASCGFFI-UHFFFAOYSA-N

Compound name

2-(triazol-2-yl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 160.07489 Da
Monoisotopic Mass: 1.2
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]+	161.08217	131.5
[M+Na]+	183.06411	144.7
[M+NH4]+	178.10871	139.6
[M+K]+	199.03805	140.4
[M-H]-	159.06761	134.4
[M+Na-2H]-	181.04956	140.6
[M]+	160.07434	134.0
[M]-	160.07544	134.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe