CID 44146854

Tris(2-ketopropyl) isocyanurate

Structural Information

Molecular Formula
C12H15N3O6
SMILES
CC(=O)CN1C(=O)N(C(=O)N(C1=O)CC(=O)C)CC(=O)C
InChI
InChI=1S/C12H15N3O6/c1-7(16)4-13-10(19)14(5-8(2)17)12(21)15(11(13)20)6-9(3)18/h4-6H2,1-3H3
InChIKey
RWZLXYPTENHFST-UHFFFAOYSA-N
Compound name
1,3,5-tris(2-oxopropyl)-1,3,5-triazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.0961 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.10338 156.4
[M+Na]+ 320.08532 167.5
[M-H]- 296.08882 157.4
[M+NH4]+ 315.12992 168.2
[M+K]+ 336.05926 165.7
[M+H-H2O]+ 280.09336 148.9
[M+HCOO]- 342.09430 175.5
[M+CH3COO]- 356.10995 205.4
[M+Na-2H]- 318.07077 156.9
[M]+ 297.09555 163.6
[M]- 297.09665 163.6
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.