CID 96793

59083-36-2

Structural Information

Molecular Formula

C₁₉H₂₃NO

SMILES

C1CN(CCC1(CO)C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C19H23NO/c21-16-19(18-9-5-2-6-10-18)11-13-20(14-12-19)15-17-7-3-1-4-8-17/h1-10,21H,11-16H2

InChIKey

BAWRMFFOXIGBQM-UHFFFAOYSA-N

Compound name

(1-benzyl-4-phenylpiperidin-4-yl)methanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 22
Patents: 281.17798 Da
Monoisotopic Mass: 3.3
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]+	282.185256	169.4
[M+Na]+	304.167198	173.5
[M-H]-	280.170704	175.1
[M+NH4]+	299.211803	184.2
[M+K]+	320.141138	168.0
[M+H-H2O]+	264.175240	159.6
[M+HCOO]-	326.176181	186.4
[M+CH3COO]-	340.191831	178.8
[M+Na-2H]-	302.152646	173.8
[M]+	281.17743142	163.8
[M]-	281.17852858	163.8

Literature stripe

literature stripe

Patent stripe

patents stripe