CID 13460

890-05-1

Structural Information

Molecular Formula
C13H18N2O3
SMILES
C=CCC1C(=O)NC(=O)N(C1=O)C2CCCCC2
InChI
InChI=1S/C13H18N2O3/c1-2-6-10-11(16)14-13(18)15(12(10)17)9-7-4-3-5-8-9/h2,9-10H,1,3-8H2,(H,14,16,18)
InChIKey
SVSSSJKOKJHAFF-UHFFFAOYSA-N
Compound name
1-cyclohexyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

250.13174 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.13902 159.1
[M+Na]+ 273.12096 164.2
[M-H]- 249.12446 160.5
[M+NH4]+ 268.16556 172.5
[M+K]+ 289.09490 159.9
[M+H-H2O]+ 233.12900 151.0
[M+HCOO]- 295.12994 172.2
[M+CH3COO]- 309.14559 191.9
[M+Na-2H]- 271.10641 158.4
[M]+ 250.13119 151.5
[M]- 250.13229 151.5
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

patents stripe