CID 3155800

1015-65-2

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₃

SMILES

C1CCC(CC1)N2C(=O)CC(=O)NC2=O

InChI

InChI=1S/C10H14N2O3/c13-8-6-9(14)12(10(15)11-8)7-4-2-1-3-5-7/h7H,1-6H2,(H,11,13,15)

InChIKey

ZTUIKEVPLFQEJR-UHFFFAOYSA-N

Compound name

1-cyclohexyl-1,3-diazinane-2,4,6-trione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 28
Patents: 210.10045 Da
Monoisotopic Mass: 0.8
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]+	211.10773	147.4
[M+Na]+	233.08967	152.6
[M-H]-	209.09317	149.0
[M+NH4]+	228.13427	162.3
[M+K]+	249.06361	149.6
[M+H-H2O]+	193.09771	139.5
[M+HCOO]-	255.09865	161.4
[M+CH3COO]-	269.11430	182.3
[M+Na-2H]-	231.07512	148.9
[M]+	210.09990	139.0
[M]-	210.10100	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe