CID 48447

66940-99-6

Structural Information

Molecular Formula
C11H18N2O3
SMILES
CC(C)CC(C)C1(C(=O)NC(=O)NC1=O)C
InChI
InChI=1S/C11H18N2O3/c1-6(2)5-7(3)11(4)8(14)12-10(16)13-9(11)15/h6-7H,5H2,1-4H3,(H2,12,13,14,15,16)
InChIKey
YIWHSXSQNWABEX-UHFFFAOYSA-N
Compound name
5-methyl-5-(4-methylpentan-2-yl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.13174 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.139016 150.9
[M+Na]+ 249.120958 157.6
[M-H]- 225.124464 148.9
[M+NH4]+ 244.165563 167.2
[M+K]+ 265.094898 155.0
[M+H-H2O]+ 209.129000 145.6
[M+HCOO]- 271.129941 164.1
[M+CH3COO]- 285.145591 187.3
[M+Na-2H]- 247.106406 151.2
[M]+ 226.13119142 147.1
[M]- 226.13228858 147.1
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

No patent data available for this compound.