CID 21312

Brn 0520165

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: 0
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]+	211.15534	149.6
[M+Na]+	233.13728	157.6
[M-H]-	209.14078	149.1
[M+NH4]+	228.18188	164.6
[M+K]+	249.11122	155.3
[M+H-H2O]+	193.14532	140.9
[M+HCOO]-	255.14626	171.1
[M+CH3COO]-	269.16191	191.7
[M+Na-2H]-	231.12273	156.2
[M]+	210.14751	152.8
[M]-	210.14861	152.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe