CID 48806

66968-91-0

Structural Information

Molecular Formula
C12H20N2O3
SMILES
CCCCCC1(C(=O)NC(=O)N(C1=O)C)CC
InChI
InChI=1S/C12H20N2O3/c1-4-6-7-8-12(5-2)9(15)13-11(17)14(3)10(12)16/h4-8H2,1-3H3,(H,13,15,17)
InChIKey
DUPZNDCBOXOYQN-UHFFFAOYSA-N
Compound name
5-ethyl-1-methyl-5-pentyl-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

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.154676 153.9
[M+Na]+ 263.136618 161.9
[M-H]- 239.140124 153.3
[M+NH4]+ 258.181223 170.8
[M+K]+ 279.110558 159.0
[M+H-H2O]+ 223.144660 148.0
[M+HCOO]- 285.145601 170.2
[M+CH3COO]- 299.161251 192.2
[M+Na-2H]- 261.122066 155.9
[M]+ 240.14685142 154.0
[M]- 240.14794858 154.0
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.