CID 7555

Triallyl cyanurate

Structural Information

Molecular Formula

C₁₂H₁₅N₃O₃

SMILES

C=CCOC1=NC(=NC(=N1)OCC=C)OCC=C

InChI

InChI=1S/C12H15N3O3/c1-4-7-16-10-13-11(17-8-5-2)15-12(14-10)18-9-6-3/h4-6H,1-3,7-9H2

InChIKey

BJELTSYBAHKXRW-UHFFFAOYSA-N

Compound name

2,4,6-tris(prop-2-enoxy)-1,3,5-triazine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 4
References: 86469
Patents: 249.11134 Da
Monoisotopic Mass: 2.8
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]+	250.11862	155.9
[M+Na]+	272.10056	164.6
[M-H]-	248.10406	155.1
[M+NH4]+	267.14516	169.2
[M+K]+	288.07450	161.1
[M+H-H2O]+	232.10860	146.9
[M+HCOO]-	294.10954	176.6
[M+CH3COO]-	308.12519	194.4
[M+Na-2H]-	270.08601	161.2
[M]+	249.11079	161.3
[M]-	249.11189	161.3

Literature stripe

literature stripe

Patent stripe

patents stripe