CID 202134

7548-69-8

Structural Information

Molecular Formula
C11H18N2O4
SMILES
CCC1(C(=O)NC(=O)NC1=O)CC(C)(CC)O
InChI
InChI=1S/C11H18N2O4/c1-4-10(3,17)6-11(5-2)7(14)12-9(16)13-8(11)15/h17H,4-6H2,1-3H3,(H2,12,13,14,15,16)
InChIKey
BIASNACFABGSFQ-UHFFFAOYSA-N
Compound name
5-ethyl-5-(2-hydroxy-2-methylbutyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.12666 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.133936 155.7
[M+Na]+ 265.115878 162.7
[M-H]- 241.119384 152.4
[M+NH4]+ 260.160483 170.8
[M+K]+ 281.089818 159.3
[M+H-H2O]+ 225.123920 150.9
[M+HCOO]- 287.124861 167.9
[M+CH3COO]- 301.140511 185.7
[M+Na-2H]- 263.101326 158.9
[M]+ 242.12611142 152.3
[M]- 242.12720858 152.3
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.