CID 94915

Trimethylallyl isocyanurate

Structural Information

Molecular Formula
C15H21N3O3
SMILES
CC(=C)CN1C(=O)N(C(=O)N(C1=O)CC(=C)C)CC(=C)C
InChI
InChI=1S/C15H21N3O3/c1-10(2)7-16-13(19)17(8-11(3)4)15(21)18(14(16)20)9-12(5)6/h1,3,5,7-9H2,2,4,6H3
InChIKey
MPJPKEMZYOAIRN-UHFFFAOYSA-N
Compound name
1,3,5-tris(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2319
Patents

291.1583 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.165576 162.2
[M+Na]+ 314.147518 172.7
[M-H]- 290.151024 162.7
[M+NH4]+ 309.192123 174.6
[M+K]+ 330.121458 168.2
[M+H-H2O]+ 274.155560 154.7
[M+HCOO]- 336.156501 179.7
[M+CH3COO]- 350.172151 207.6
[M+Na-2H]- 312.132966 160.8
[M]+ 291.15775142 166.2
[M]- 291.15884858 166.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe