CID 16554

Cycluron

Structural Information

Molecular Formula

C₁₁H₂₂N₂O

SMILES

CN(C)C(=O)NC1CCCCCCC1

InChI

InChI=1S/C11H22N2O/c1-13(2)11(14)12-10-8-6-4-3-5-7-9-10/h10H,3-9H2,1-2H3,(H,12,14)

InChIKey

DQZCVNGCTZLGAQ-UHFFFAOYSA-N

Compound name

3-cyclooctyl-1,1-dimethylurea

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 1
References: 7861
Patents: 198.17322 Da
Monoisotopic Mass: 2.4
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]+	199.18050	145.4
[M+Na]+	221.16244	147.9
[M+NH4]+	216.20704	148.1
[M+K]+	237.13638	147.7
[M-H]-	197.16594	146.3
[M+Na-2H]-	219.14789	148.2
[M]+	198.17267	145.8
[M]-	198.17377	145.8

Literature stripe

literature stripe

Patent stripe

patents stripe