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]+ 241.154676 155.8
[M+Na]+ 263.136618 162.2
[M-H]- 239.140124 153.5
[M+NH4]+ 258.181223 171.6
[M+K]+ 279.110558 158.9
[M+H-H2O]+ 223.144660 150.0
[M+HCOO]- 285.145601 169.6
[M+CH3COO]- 299.161251 189.4
[M+Na-2H]- 261.122066 156.7
[M]+ 240.14685142 153.0
[M]- 240.14794858 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.