CID 48154

66842-99-7

Structural Information

Molecular Formula
C12H20N2O3
SMILES
CCCC1(C(=O)NC(=O)NC1=O)CC(C)CC
InChI
InChI=1S/C12H20N2O3/c1-4-6-12(7-8(3)5-2)9(15)13-11(17)14-10(12)16/h8H,4-7H2,1-3H3,(H2,13,14,15,16,17)
InChIKey
IHGCUUHZJSCJGN-UHFFFAOYSA-N
Compound name
5-(2-methylbutyl)-5-propyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
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 155.8
[M+Na]+ 263.13662 162.2
[M-H]- 239.14012 153.5
[M+NH4]+ 258.18122 171.6
[M+K]+ 279.11056 158.9
[M+H-H2O]+ 223.14466 150.0
[M+HCOO]- 285.14560 169.6
[M+CH3COO]- 299.16125 189.4
[M+Na-2H]- 261.12207 156.7
[M]+ 240.14685 153.0
[M]- 240.14795 153.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.