CID 3070070

85689-95-8

Structural Information

Molecular Formula

C₁₇H₂₇NO

SMILES

CCN(CC)CC(C1=CC=C(C=C1)C2CCCC2)O

InChI

InChI=1S/C17H27NO/c1-3-18(4-2)13-17(19)16-11-9-15(10-12-16)14-7-5-6-8-14/h9-12,14,17,19H,3-8,13H2,1-2H3

InChIKey

OTUPOONJCYPSTC-UHFFFAOYSA-N

Compound name

1-(4-cyclopentylphenyl)-2-(diethylamino)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 1
Patents: 261.20926 Da
Monoisotopic Mass: 3.8
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]+	262.216536	166.7
[M+Na]+	284.198478	169.3
[M-H]-	260.201984	172.2
[M+NH4]+	279.243083	184.5
[M+K]+	300.172418	166.7
[M+H-H2O]+	244.206520	159.2
[M+HCOO]-	306.207461	187.2
[M+CH3COO]-	320.223111	201.3
[M+Na-2H]-	282.183926	165.8
[M]+	261.20871142	164.5
[M]-	261.20980858	164.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe