CID 197943

16268-82-9

Structural Information

Molecular Formula

C₆H₁₂N₆

SMILES

CNC1=NC(=NC(=N1)N)N(C)C

InChI

InChI=1S/C6H12N6/c1-8-5-9-4(7)10-6(11-5)12(2)3/h1-3H3,(H3,7,8,9,10,11)

InChIKey

KOTLUXGSMFWUKB-UHFFFAOYSA-N

Compound name

2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1768
Patents: 168.11235 Da
Monoisotopic Mass: 1.0
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]+	169.119626	136.8
[M+Na]+	191.101568	145.2
[M-H]-	167.105074	138.2
[M+NH4]+	186.146173	153.3
[M+K]+	207.075508	144.3
[M+H-H2O]+	151.109610	128.2
[M+HCOO]-	213.110551	161.4
[M+CH3COO]-	227.126201	190.4
[M+Na-2H]-	189.087016	144.6
[M]+	168.11180142	136.0
[M]-	168.11289858	136.0

Literature stripe

literature stripe

Patent stripe

patents stripe