CID 181987

1,3,5-triazine-2,4,6(1h,3h,5h)-trione, 1-cyclohexyl-3-methyl-

Structural Information

Molecular Formula
C10H15N3O3
SMILES
CN1C(=O)NC(=O)N(C1=O)C2CCCCC2
InChI
InChI=1S/C10H15N3O3/c1-12-8(14)11-9(15)13(10(12)16)7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,11,14,15)
InChIKey
BLHDOIXYJVDVBR-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-methyl-1,3,5-triazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1
Patents

225.11134 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.11862 148.7
[M+Na]+ 248.10056 157.9
[M-H]- 224.10406 150.3
[M+NH4]+ 243.14516 162.3
[M+K]+ 264.07450 153.9
[M+H-H2O]+ 208.10860 140.1
[M+HCOO]- 270.10954 165.6
[M+CH3COO]- 284.12519 185.6
[M+Na-2H]- 246.08601 152.3
[M]+ 225.11079 145.5
[M]- 225.11189 145.5
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