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

2314
Patents

291.1583 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.16558 162.2
[M+Na]+ 314.14752 172.7
[M-H]- 290.15102 162.7
[M+NH4]+ 309.19212 174.6
[M+K]+ 330.12146 168.2
[M+H-H2O]+ 274.15556 154.7
[M+HCOO]- 336.15650 179.7
[M+CH3COO]- 350.17215 207.6
[M+Na-2H]- 312.13297 160.8
[M]+ 291.15775 166.2
[M]- 291.15885 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.