CID 11970767

84041-64-5

Structural Information

Molecular Formula

C₉H₁₄ClN₅

SMILES

CNC1=NC(=NC(=N1)Cl)NC2CCCC2

InChI

InChI=1S/C9H14ClN5/c1-11-8-13-7(10)14-9(15-8)12-6-4-2-3-5-6/h6H,2-5H2,1H3,(H2,11,12,13,14,15)

InChIKey

DFAXRJSIQCUYIO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 227.09378 Da
Monoisotopic Mass: 2.8
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	149.5
[M+Na]+	250.082998	156.8
[M-H]-	226.086504	151.8
[M+NH4]+	245.127603	165.4
[M+K]+	266.056938	152.5
[M+H-H2O]+	210.091040	140.2
[M+HCOO]-	272.091981	166.7
[M+CH3COO]-	286.107631	160.7
[M+Na-2H]-	248.068446	154.4
[M]+	227.09323142	147.4
[M]-	227.09432858	147.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe