CID 48930

67031-70-3

Structural Information

Molecular Formula

C₁₅H₂₁NO₂

SMILES

C1CCN(CC1)CCCOC(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H21NO2/c17-15(14-8-3-1-4-9-14)18-13-7-12-16-10-5-2-6-11-16/h1,3-4,8-9H,2,5-7,10-13H2

InChIKey

XLJWNWIRMPJXHZ-UHFFFAOYSA-N

Compound name

3-piperidin-1-ylpropyl benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 247.15723 Da
Monoisotopic Mass: 3.4
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]+	248.164506	159.3
[M+Na]+	270.146448	162.2
[M-H]-	246.149954	162.8
[M+NH4]+	265.191053	174.3
[M+K]+	286.120388	159.5
[M+H-H2O]+	230.154490	150.4
[M+HCOO]-	292.155431	177.2
[M+CH3COO]-	306.171081	192.1
[M+Na-2H]-	268.131896	162.5
[M]+	247.15668142	156.2
[M]-	247.15777858	156.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe