CID 765218

1-(3-bromobenzyl)piperidin-4-ol

Structural Information

Molecular Formula

C₁₂H₁₆BrNO

SMILES

C1CN(CCC1O)CC2=CC(=CC=C2)Br

InChI

InChI=1S/C12H16BrNO/c13-11-3-1-2-10(8-11)9-14-6-4-12(15)5-7-14/h1-3,8,12,15H,4-7,9H2

InChIKey

GYEDHELORMIYNA-UHFFFAOYSA-N

Compound name

1-[(3-bromophenyl)methyl]piperidin-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 8
Patents: 269.04153 Da
Monoisotopic Mass: 2.3
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]+	270.04881	154.7
[M+Na]+	292.03075	163.4
[M-H]-	268.03425	160.5
[M+NH4]+	287.07535	172.7
[M+K]+	308.00469	151.7
[M+H-H2O]+	252.03879	153.7
[M+HCOO]-	314.03973	170.6
[M+CH3COO]-	328.05538	191.3
[M+Na-2H]-	290.01620	159.8
[M]+	269.04098	168.6
[M]-	269.04208	168.6

Literature stripe

literature stripe

Patent stripe

patents stripe