CID 747058

51884-11-8

Structural Information

Molecular Formula

C₉H₁₀N₄

SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)N

InChI

InChI=1S/C9H10N4/c1-6-2-4-7(5-3-6)8-11-9(10)13-12-8/h2-5H,1H3,(H3,10,11,12,13)

InChIKey

OFNBXLBLUCECGY-UHFFFAOYSA-N

Compound name

5-(4-methylphenyl)-1H-1,2,4-triazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 27
Patents: 174.09055 Da
Monoisotopic Mass: 1.9
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]+	175.09783	136.5
[M+Na]+	197.07977	149.4
[M+NH4]+	192.12437	144.1
[M+K]+	213.05371	145.3
[M-H]-	173.08327	138.9
[M+Na-2H]-	195.06522	144.5
[M]+	174.09000	138.8
[M]-	174.09110	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe