CID 21311

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

Structural Information

Molecular Formula

C₈H₁₄N₄O

SMILES

CCNC1=NC(=NC(=N1)C)OCC

InChI

InChI=1S/C8H14N4O/c1-4-9-7-10-6(3)11-8(12-7)13-5-2/h4-5H2,1-3H3,(H,9,10,11,12)

InChIKey

AFGWGIRVJYUUMY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 182.11676 Da
Monoisotopic Mass: 1.7
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]+	183.124036	140.6
[M+Na]+	205.105978	149.6
[M-H]-	181.109484	140.6
[M+NH4]+	200.150583	156.8
[M+K]+	221.079918	147.8
[M+H-H2O]+	165.114020	132.4
[M+HCOO]-	227.114961	162.8
[M+CH3COO]-	241.130611	185.7
[M+Na-2H]-	203.091426	148.4
[M]+	182.11621142	143.2
[M]-	182.11730858	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe