CID 2724034

Ns00060900

Structural Information

Molecular Formula

C₁₁H₁₄BrN

SMILES

C1CNCCC1(C2=CC=CC=C2)Br

InChI

InChI=1S/C11H14BrN/c12-11(6-8-13-9-7-11)10-4-2-1-3-5-10/h1-5,13H,6-9H2

InChIKey

HDQWRRVKPLILDC-UHFFFAOYSA-N

Compound name

4-bromo-4-phenylpiperidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 20
Patents: 239.03096 Da
Monoisotopic Mass: 2.4
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]+	240.038236	146.9
[M+Na]+	262.020178	155.4
[M-H]-	238.023684	152.7
[M+NH4]+	257.064783	167.6
[M+K]+	277.994118	143.8
[M+H-H2O]+	222.028220	146.9
[M+HCOO]-	284.029161	163.2
[M+CH3COO]-	298.044811	160.1
[M+Na-2H]-	260.005626	155.0
[M]+	239.03041142	159.0
[M]-	239.03150858	159.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe