CID 4338720

3-cyclohexyl-1,1-diethylurea

Structural Information

Molecular Formula

C₁₁H₂₂N₂O

SMILES

CCN(CC)C(=O)NC1CCCCC1

InChI

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

InChIKey

ZNADTBMMQHPLQF-UHFFFAOYSA-N

Compound name

3-cyclohexyl-1,1-diethylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 198.17322 Da
Monoisotopic Mass: 2.1
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	149.2
[M+Na]+	221.16244	156.8
[M+NH4]+	216.20704	157.1
[M+K]+	237.13638	151.3
[M-H]-	197.16594	151.7
[M+Na-2H]-	219.14789	153.3
[M]+	198.17267	150.6
[M]-	198.17377	150.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe