CID 12760724

1-phenyl-1h-1,2,3-triazol-5-amine

Structural Information

Molecular Formula

C₈H₈N₄

SMILES

C1=CC=C(C=C1)N2C(=CN=N2)N

InChI

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

InChIKey

YDXSWXCCLCCENV-UHFFFAOYSA-N

Compound name

3-phenyltriazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 39
Patents: 160.07489 Da
Monoisotopic Mass: 1.0
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

literature stripe

Patent stripe

patents stripe