CID 96727

26979-21-5

Structural Information

Molecular Formula

C₁₉H₂₁NO

SMILES

C1CN(CCC1(C=O)C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C19H21NO/c21-16-19(18-9-5-2-6-10-18)11-13-20(14-12-19)15-17-7-3-1-4-8-17/h1-10,16H,11-15H2

InChIKey

ZBQJTCFWWZXZBG-UHFFFAOYSA-N

Compound name

1-benzyl-4-phenylpiperidine-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 279.16232 Da
Monoisotopic Mass: 3.2
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]+	280.16960	168.1
[M+Na]+	302.15154	172.9
[M-H]-	278.15504	175.2
[M+NH4]+	297.19614	183.6
[M+K]+	318.12548	167.8
[M+H-H2O]+	262.15958	158.1
[M+HCOO]-	324.16052	186.9
[M+CH3COO]-	338.17617	178.3
[M+Na-2H]-	300.13699	173.0
[M]+	279.16177	163.6
[M]-	279.16287	163.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe