CID 48811

66968-96-5

Structural Information

Molecular Formula
C12H20N2O3
SMILES
CCC1(C(=O)NC(=O)NC1=O)CCCC(C)C
InChI
InChI=1S/C12H20N2O3/c1-4-12(7-5-6-8(2)3)9(15)13-11(17)14-10(12)16/h8H,4-7H2,1-3H3,(H2,13,14,15,16,17)
InChIKey
MHNCDYIENVODRP-UHFFFAOYSA-N
Compound name
5-ethyl-5-(4-methylpentyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.1474 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.15468 158.0
[M+Na]+ 263.13662 166.6
[M+NH4]+ 258.18122 163.9
[M+K]+ 279.11056 160.6
[M-H]- 239.14012 155.6
[M+Na-2H]- 261.12207 160.0
[M]+ 240.14685 158.2
[M]- 240.14795 158.2
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.