CID 2405215

87239-95-0

Structural Information

Molecular Formula

C₉H₁₀N₄S

SMILES

CC1=CC=CC=C1C2=NNC(=S)N2N

InChI

InChI=1S/C9H10N4S/c1-6-4-2-3-5-7(6)8-11-12-9(14)13(8)10/h2-5H,10H2,1H3,(H,12,14)

InChIKey

CUEYNOAJNUCBAP-UHFFFAOYSA-N

Compound name

4-amino-3-(2-methylphenyl)-1H-1,2,4-triazole-5-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11
Patents: 206.06262 Da
Monoisotopic Mass: 1.3
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]+	207.06990	143.5
[M+Na]+	229.05184	156.2
[M+NH4]+	224.09644	151.1
[M+K]+	245.02578	150.1
[M-H]-	205.05534	145.9
[M+Na-2H]-	227.03729	150.0
[M]+	206.06207	146.2
[M]-	206.06317	146.2

Literature stripe

literature stripe

Patent stripe

patents stripe