CID 21312

4-butoxy-n-ethyl-6-methyl-1,3,5-triazin-2-amine

Structural Information

Molecular Formula

C₁₀H₁₈N₄O

SMILES

CCCCOC1=NC(=NC(=N1)NCC)C

InChI

InChI=1S/C10H18N4O/c1-4-6-7-15-10-13-8(3)12-9(14-10)11-5-2/h4-7H2,1-3H3,(H,11,12,13,14)

InChIKey

DCOORNZXFCKEKZ-UHFFFAOYSA-N

Compound name

4-butoxy-N-ethyl-6-methyl-1,3,5-triazin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 210.14806 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]+	211.155336	149.6
[M+Na]+	233.137278	157.6
[M-H]-	209.140784	149.1
[M+NH4]+	228.181883	164.6
[M+K]+	249.111218	155.3
[M+H-H2O]+	193.145320	140.9
[M+HCOO]-	255.146261	171.1
[M+CH3COO]-	269.161911	191.7
[M+Na-2H]-	231.122726	156.2
[M]+	210.14751142	152.8
[M]-	210.14860858	152.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe