CID 16767598

3-hydrazinyl-4-methyl-5-phenyl-4h-1,2,4-triazole

Structural Information

Molecular Formula

C₉H₁₁N₅

SMILES

CN1C(=NN=C1NN)C2=CC=CC=C2

InChI

InChI=1S/C9H11N5/c1-14-8(12-13-9(14)11-10)7-5-3-2-4-6-7/h2-6H,10H2,1H3,(H,11,13)

InChIKey

PTICRJHPJJHINP-UHFFFAOYSA-N

Compound name

(4-methyl-5-phenyl-1,2,4-triazol-3-yl)hydrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 189.10144 Da
Monoisotopic Mass: 0.7
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]+	190.108716	139.1
[M+Na]+	212.090658	148.1
[M-H]-	188.094164	142.3
[M+NH4]+	207.135263	155.9
[M+K]+	228.064598	144.6
[M+H-H2O]+	172.098700	130.0
[M+HCOO]-	234.099641	163.5
[M+CH3COO]-	248.115291	152.0
[M+Na-2H]-	210.076106	145.9
[M]+	189.10089142	137.3
[M]-	189.10198858	137.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe