CID 3065067

O-cresol, 4-cyclohexyl-alpha-(diethylamino)-, hydrochloride

Structural Information

Molecular Formula

C₁₇H₂₇NO

SMILES

CCN(CC)CC1=C(C=CC(=C1)C2CCCCC2)O

InChI

InChI=1S/C17H27NO/c1-3-18(4-2)13-16-12-15(10-11-17(16)19)14-8-6-5-7-9-14/h10-12,14,19H,3-9,13H2,1-2H3

InChIKey

JKMHNQQKCPDKBY-UHFFFAOYSA-N

Compound name

4-cyclohexyl-2-(diethylaminomethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 261.20926 Da
Monoisotopic Mass: 4.7
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]+	262.216536	165.0
[M+Na]+	284.198478	167.9
[M-H]-	260.201984	170.4
[M+NH4]+	279.243083	181.3
[M+K]+	300.172418	164.9
[M+H-H2O]+	244.206520	157.2
[M+HCOO]-	306.207461	184.3
[M+CH3COO]-	320.223111	202.1
[M+Na-2H]-	282.183926	166.1
[M]+	261.20871142	161.7
[M]-	261.20980858	161.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.