CID 98152

4-benzylpiperidin-4-ol

Structural Information

Molecular Formula

C₁₂H₁₇NO

SMILES

C1CNCCC1(CC2=CC=CC=C2)O

InChI

InChI=1S/C12H17NO/c14-12(6-8-13-9-7-12)10-11-4-2-1-3-5-11/h1-5,13-14H,6-10H2

InChIKey

KJZBZOFESQSBCV-UHFFFAOYSA-N

Compound name

4-benzylpiperidin-4-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 784
Patents: 191.13101 Da
Monoisotopic Mass: 1.4
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]+	192.13829	145.5
[M+Na]+	214.12023	157.6
[M+NH4]+	209.16483	155.7
[M+K]+	230.09417	148.4
[M-H]-	190.12373	148.8
[M+Na-2H]-	212.10568	154.5
[M]+	191.13046	148.2
[M]-	191.13156	148.2

Literature stripe

literature stripe

Patent stripe

patents stripe