CID 8942

Ortal

Structural Information

Molecular Formula
C12H20N2O3
SMILES
CCCCCCC1(C(=O)NC(=O)NC1=O)CC
InChI
InChI=1S/C12H20N2O3/c1-3-5-6-7-8-12(4-2)9(15)13-11(17)14-10(12)16/h3-8H2,1-2H3,(H2,13,14,15,16,17)
InChIKey
PSTVHRSUNBSVIJ-UHFFFAOYSA-N
Compound name
5-ethyl-5-hexyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

642
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 158.2
[M+Na]+ 263.13662 167.2
[M+NH4]+ 258.18122 164.2
[M+K]+ 279.11056 160.3
[M-H]- 239.14012 156.0
[M+Na-2H]- 261.12207 160.5
[M]+ 240.14685 158.5
[M]- 240.14795 158.5
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

patents stripe