CID 17142

Triglycidyl isocyanurate

Structural Information

Molecular Formula
C12H15N3O6
SMILES
C1C(O1)CN2C(=O)N(C(=O)N(C2=O)CC3CO3)CC4CO4
InChI
InChI=1S/C12H15N3O6/c16-10-13(1-7-4-19-7)11(17)15(3-9-6-21-9)12(18)14(10)2-8-5-20-8/h7-9H,1-6H2
InChIKey
OUPZKGBUJRBPGC-UHFFFAOYSA-N
Compound name
1,3,5-tris(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

51
References

65460
Patents

297.0961 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.10338 206.9
[M+Na]+ 320.08532 213.4
[M-H]- 296.08882 214.9
[M+NH4]+ 315.12992 200.6
[M+K]+ 336.05926 212.9
[M+H-H2O]+ 280.09336 198.8
[M+HCOO]- 342.09430 217.1
[M+CH3COO]- 356.10995 220.5
[M+Na-2H]- 318.07077 203.3
[M]+ 297.09555 215.4
[M]- 297.09665 215.4
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.