CID 27777

Nsc298112

Structural Information

Molecular Formula

C₁₁H₂₂N₆

SMILES

CCN(CC)C1=NC(=NC(=N1)N(C)C)N(C)C

InChI

InChI=1S/C11H22N6/c1-7-17(8-2)11-13-9(15(3)4)12-10(14-11)16(5)6/h7-8H2,1-6H3

InChIKey

LGLQBSMADBVAHQ-UHFFFAOYSA-N

Compound name

2-N,2-N-diethyl-4-N,4-N,6-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 238.1906 Da
Monoisotopic Mass: 2.1
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]+	239.197876	158.8
[M+Na]+	261.179818	165.3
[M-H]-	237.183324	162.8
[M+NH4]+	256.224423	174.0
[M+K]+	277.153758	166.3
[M+H-H2O]+	221.187860	148.8
[M+HCOO]-	283.188801	183.4
[M+CH3COO]-	297.204451	213.0
[M+Na-2H]-	259.165266	163.8
[M]+	238.19005142	163.4
[M]-	238.19114858	163.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.