CID 77896

4-phenylpiperidine-4-methanol

Structural Information

Molecular Formula

C₁₂H₁₇NO

SMILES

C1CNCCC1(CO)C2=CC=CC=C2

InChI

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

InChIKey

YXDQCHJILIFZBY-UHFFFAOYSA-N

Compound name

(4-phenylpiperidin-4-yl)methanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 214
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]+	192.138286	144.9
[M+Na]+	214.120228	149.4
[M-H]-	190.123734	146.6
[M+NH4]+	209.164833	163.1
[M+K]+	230.094168	145.4
[M+H-H2O]+	174.128270	137.9
[M+HCOO]-	236.129211	161.6
[M+CH3COO]-	250.144861	155.5
[M+Na-2H]-	212.105676	151.1
[M]+	191.13046142	137.5
[M]-	191.13155858	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe