CID 3053954

70551-77-8

Structural Information

Molecular Formula

C₁₀H₁₀ClN₅

SMILES

CNNC1=NC(=CN=N1)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C10H10ClN5/c1-12-15-10-14-9(6-13-16-10)7-3-2-4-8(11)5-7/h2-6,12H,1H3,(H,14,15,16)

InChIKey

FTEXCCNCJIPQQW-UHFFFAOYSA-N

Compound name

1-[5-(3-chlorophenyl)-1,2,4-triazin-3-yl]-2-methylhydrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 235.06247 Da
Monoisotopic Mass: 1.6
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]+	236.06975	149.5
[M+Na]+	258.05169	158.8
[M-H]-	234.05519	152.3
[M+NH4]+	253.09629	163.5
[M+K]+	274.02563	153.2
[M+H-H2O]+	218.05973	140.2
[M+HCOO]-	280.06067	168.5
[M+CH3COO]-	294.07632	161.3
[M+Na-2H]-	256.03714	158.9
[M]+	235.06192	150.1
[M]-	235.06302	150.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.