CID 49202

Brn 0233081

Structural Information

Molecular Formula
C13H20N2O3
SMILES
CCCCC1(C(=O)NC(=O)NC1=O)CC=C(C)C
InChI
InChI=1S/C13H20N2O3/c1-4-5-7-13(8-6-9(2)3)10(16)14-12(18)15-11(13)17/h6H,4-5,7-8H2,1-3H3,(H2,14,15,16,17,18)
InChIKey
ZLIAEIMDLFSHJY-UHFFFAOYSA-N
Compound name
5-butyl-5-(3-methylbut-2-enyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

252.1474 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.15468 158.9
[M+Na]+ 275.13662 165.3
[M-H]- 251.14012 156.5
[M+NH4]+ 270.18122 174.2
[M+K]+ 291.11056 161.2
[M+H-H2O]+ 235.14466 153.1
[M+HCOO]- 297.14560 172.6
[M+CH3COO]- 311.16125 190.9
[M+Na-2H]- 273.12207 159.3
[M]+ 252.14685 155.7
[M]- 252.14795 155.7
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.