CID 3053953

Brn 0786968

Structural Information

Molecular Formula

C₁₁H₁₃N₅

SMILES

CC1=CC=C(C=C1)C2=CN=NC(=N2)NNC

InChI

InChI=1S/C11H13N5/c1-8-3-5-9(6-4-8)10-7-13-16-11(14-10)15-12-2/h3-7,12H,1-2H3,(H,14,15,16)

InChIKey

JVRLQKAEXKGVIA-UHFFFAOYSA-N

Compound name

1-methyl-2-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]hydrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 215.1171 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]+	216.124376	148.1
[M+Na]+	238.106318	156.3
[M-H]-	214.109824	151.2
[M+NH4]+	233.150923	162.1
[M+K]+	254.080258	152.1
[M+H-H2O]+	198.114360	138.3
[M+HCOO]-	260.115301	171.5
[M+CH3COO]-	274.130951	160.0
[M+Na-2H]-	236.091766	157.5
[M]+	215.11655142	147.0
[M]-	215.11764858	147.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.