CID 18425738

200868-41-3

Structural Information

Molecular Formula

C₁₅H₂₄N₂O

SMILES

C1CN(CCC1OCCCN)CC2=CC=CC=C2

InChI

InChI=1S/C15H24N2O/c16-9-4-12-18-15-7-10-17(11-8-15)13-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13,16H2

InChIKey

UXFPMNSYBVPROG-UHFFFAOYSA-N

Compound name

3-(1-benzylpiperidin-4-yl)oxypropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 40
Patents: 248.18886 Da
Monoisotopic Mass: 1.6
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]+	249.19614	160.3
[M+Na]+	271.17808	163.4
[M-H]-	247.18158	163.5
[M+NH4]+	266.22268	175.2
[M+K]+	287.15202	159.8
[M+H-H2O]+	231.18612	151.4
[M+HCOO]-	293.18706	179.3
[M+CH3COO]-	307.20271	196.0
[M+Na-2H]-	269.16353	163.5
[M]+	248.18831	156.0
[M]-	248.18941	156.0

Literature stripe

literature stripe

Patent stripe

patents stripe