CID 13225

Trimethyl isocyanurate

Structural Information

Molecular Formula
C6H9N3O3
SMILES
CN1C(=O)N(C(=O)N(C1=O)C)C
InChI
InChI=1S/C6H9N3O3/c1-7-4(10)8(2)6(12)9(3)5(7)11/h1-3H3
InChIKey
AHWDQDMGFXRVFB-UHFFFAOYSA-N
Compound name
1,3,5-trimethyl-1,3,5-triazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1650
Patents

171.06439 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.07167 132.8
[M+Na]+ 194.05361 147.1
[M+NH4]+ 189.09821 138.3
[M+K]+ 210.02755 142.8
[M-H]- 170.05711 131.7
[M+Na-2H]- 192.03906 137.8
[M]+ 171.06384 134.3
[M]- 171.06494 134.3
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