CID 20277

4283-71-0

Structural Information

Molecular Formula
C11H18N2O3
SMILES
CCCCC1(C(=O)NC(=O)N(C1=O)C)CC
InChI
InChI=1S/C11H18N2O3/c1-4-6-7-11(5-2)8(14)12-10(16)13(3)9(11)15/h4-7H2,1-3H3,(H,12,14,16)
InChIKey
REJLZMLFNWVMTE-UHFFFAOYSA-N
Compound name
5-butyl-5-ethyl-1-methyl-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

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.139016 149.5
[M+Na]+ 249.120958 158.0
[M-H]- 225.124464 149.1
[M+NH4]+ 244.165563 167.0
[M+K]+ 265.094898 155.3
[M+H-H2O]+ 209.129000 143.8
[M+HCOO]- 271.129941 166.1
[M+CH3COO]- 285.145591 189.2
[M+Na-2H]- 247.106406 152.0
[M]+ 226.13119142 149.2
[M]- 226.13228858 149.2
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.