CID 4657034

Ethylhexyl cyclohexyl urea

Structural Information

Molecular Formula

C₁₅H₃₀N₂O

SMILES

CCCCC(CC)CNC(=O)NC1CCCCC1

InChI

InChI=1S/C15H30N2O/c1-3-5-9-13(4-2)12-16-15(18)17-14-10-7-6-8-11-14/h13-14H,3-12H2,1-2H3,(H2,16,17,18)

InChIKey

XPUUQWDBQWCCFH-UHFFFAOYSA-N

Compound name

1-cyclohexyl-3-(2-ethylhexyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 254.23581 Da
Monoisotopic Mass: 4.3
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]+	255.24309	167.0
[M+Na]+	277.22503	173.2
[M+NH4]+	272.26963	173.9
[M+K]+	293.19897	167.1
[M-H]-	253.22853	168.8
[M+Na-2H]-	275.21048	169.4
[M]+	254.23526	167.9
[M]-	254.23636	167.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe