CID 50678

Brn 0248118

Structural Information

Molecular Formula
C12H18N2O4
SMILES
CCC1(C(=O)NC(=O)NC1=O)CC(=O)C(C)(C)C
InChI
InChI=1S/C12H18N2O4/c1-5-12(6-7(15)11(2,3)4)8(16)13-10(18)14-9(12)17/h5-6H2,1-4H3,(H2,13,14,16,17,18)
InChIKey
UEHAQDHYXQVXNA-UHFFFAOYSA-N
Compound name
5-(3,3-dimethyl-2-oxobutyl)-5-ethyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.12666 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.133936 156.7
[M+Na]+ 277.115878 163.8
[M-H]- 253.119384 154.8
[M+NH4]+ 272.160483 172.0
[M+K]+ 293.089818 161.1
[M+H-H2O]+ 237.123920 151.9
[M+HCOO]- 299.124861 169.4
[M+CH3COO]- 313.140511 190.5
[M+Na-2H]- 275.101326 158.9
[M]+ 254.12611142 154.2
[M]- 254.12720858 154.2
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.