CID 49178

67050-26-4

Structural Information

Molecular Formula
C11H18N2O3
SMILES
CCC(C)C1(C(=O)NC(=O)N(C1=O)C)CC
InChI
InChI=1S/C11H18N2O3/c1-5-7(3)11(6-2)8(14)12-10(16)13(4)9(11)15/h7H,5-6H2,1-4H3,(H,12,14,16)
InChIKey
YYDYCOYEAOTLGT-UHFFFAOYSA-N
Compound name
5-butan-2-yl-5-ethyl-1-methyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 149.0
[M+Na]+ 249.120958 157.3
[M-H]- 225.124464 148.7
[M+NH4]+ 244.165563 166.4
[M+K]+ 265.094898 155.1
[M+H-H2O]+ 209.129000 143.6
[M+HCOO]- 271.129941 164.7
[M+CH3COO]- 285.145591 190.1
[M+Na-2H]- 247.106406 150.4
[M]+ 226.13119142 148.1
[M]- 226.13228858 148.1
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.