CID 11970651

78532-50-0

Structural Information

Molecular Formula

C₉H₁₄ClN₅

SMILES

C1CCC(CC1)NC2=NC(=NC(=N2)N)Cl

InChI

InChI=1S/C9H14ClN5/c10-7-13-8(11)15-9(14-7)12-6-4-2-1-3-5-6/h6H,1-5H2,(H3,11,12,13,14,15)

InChIKey

BOFRFKAQZXMADZ-UHFFFAOYSA-N

Compound name

6-chloro-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 227.09378 Da
Monoisotopic Mass: 2.6
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]+	228.101056	150.1
[M+Na]+	250.082998	156.7
[M-H]-	226.086504	151.5
[M+NH4]+	245.127603	163.9
[M+K]+	266.056938	151.8
[M+H-H2O]+	210.091040	140.9
[M+HCOO]-	272.091981	164.5
[M+CH3COO]-	286.107631	160.4
[M+Na-2H]-	248.068446	155.8
[M]+	227.09323142	145.0
[M]-	227.09432858	145.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.