CID 98542

3-hydrazino-5-phenyl-1,2,4-triazine

Structural Information

Molecular Formula

C₉H₉N₅

SMILES

C1=CC=C(C=C1)C2=CN=NC(=N2)NN

InChI

InChI=1S/C9H9N5/c10-13-9-12-8(6-11-14-9)7-4-2-1-3-5-7/h1-6H,10H2,(H,12,13,14)

InChIKey

XNMHGSWBLYFSHI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 14
Patents: 187.0858 Da
Monoisotopic Mass: 0.4
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]+	188.093076	138.4
[M+Na]+	210.075018	146.7
[M-H]-	186.078524	141.0
[M+NH4]+	205.119623	153.0
[M+K]+	226.048958	142.5
[M+H-H2O]+	170.083060	129.0
[M+HCOO]-	232.084001	162.0
[M+CH3COO]-	246.099651	150.6
[M+Na-2H]-	208.060466	148.8
[M]+	187.08525142	135.3
[M]-	187.08634858	135.3

Literature stripe

literature stripe

Patent stripe

patents stripe