CID 13267

834-90-2

Structural Information

Molecular Formula
C11H16N2O3
SMILES
CC1C(=O)NC(=O)N(C1=O)C2CCCCC2
InChI
InChI=1S/C11H16N2O3/c1-7-9(14)12-11(16)13(10(7)15)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,12,14,16)
InChIKey
NOMGRDIADBNCNU-UHFFFAOYSA-N
Compound name
1-cyclohexyl-5-methyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

349
Patents

224.11609 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.123366 151.7
[M+Na]+ 247.105308 157.4
[M-H]- 223.108814 153.5
[M+NH4]+ 242.149913 166.3
[M+K]+ 263.079248 154.2
[M+H-H2O]+ 207.113350 143.9
[M+HCOO]- 269.114291 165.3
[M+CH3COO]- 283.129941 186.6
[M+Na-2H]- 245.090756 152.0
[M]+ 224.11554142 144.1
[M]- 224.11663858 144.1
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

patents stripe