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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	251.139016	159.1
[M+Na]+	273.120958	164.2
[M-H]-	249.124464	160.5
[M+NH4]+	268.165563	172.5
[M+K]+	289.094898	159.9
[M+H-H2O]+	233.129000	151.0
[M+HCOO]-	295.129941	172.2
[M+CH3COO]-	309.145591	191.9
[M+Na-2H]-	271.106406	158.4
[M]+	250.13119142	151.5
[M]-	250.13228858	151.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe