CID 211491

Rc 61-93

Structural Information

Molecular Formula

C₁₆H₂₅NO₂

SMILES

CCC1CCN(CC1)C(C)C(C2=CC=C(C=C2)O)O

InChI

InChI=1S/C16H25NO2/c1-3-13-8-10-17(11-9-13)12(2)16(19)14-4-6-15(18)7-5-14/h4-7,12-13,16,18-19H,3,8-11H2,1-2H3

InChIKey

GOGXNDSHPVJVTC-UHFFFAOYSA-N

Compound name

4-[2-(4-ethylpiperidin-1-yl)-1-hydroxypropyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 263.18854 Da
Monoisotopic Mass: 3.0
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]+	264.195816	165.1
[M+Na]+	286.177758	168.1
[M-H]-	262.181264	166.5
[M+NH4]+	281.222363	178.6
[M+K]+	302.151698	164.6
[M+H-H2O]+	246.185800	157.3
[M+HCOO]-	308.186741	178.5
[M+CH3COO]-	322.202391	194.7
[M+Na-2H]-	284.163206	164.3
[M]+	263.18799142	159.8
[M]-	263.18908858	159.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.