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]+ 298.103376 156.4
[M+Na]+ 320.085318 167.5
[M-H]- 296.088824 157.4
[M+NH4]+ 315.129923 168.2
[M+K]+ 336.059258 165.7
[M+H-H2O]+ 280.093360 148.9
[M+HCOO]- 342.094301 175.5
[M+CH3COO]- 356.109951 205.4
[M+Na-2H]- 318.070766 156.9
[M]+ 297.09555142 163.6
[M]- 297.09664858 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.