CID 28065267

518065-43-5

Structural Information

Molecular Formula

C₉H₁₀N₄

SMILES

CC1=NC(=NN1)C2=CC=C(C=C2)N

InChI

InChI=1S/C9H10N4/c1-6-11-9(13-12-6)7-2-4-8(10)5-3-7/h2-5H,10H2,1H3,(H,11,12,13)

InChIKey

BBCYWHMUTPKZKJ-UHFFFAOYSA-N

Compound name

4-(5-methyl-1H-1,2,4-triazol-3-yl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 174.09055 Da
Monoisotopic Mass: 1.4
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

No literature data available for this compound.

Patent stripe

patents stripe