CID 3052843

69352-94-9

Structural Information

Molecular Formula

C₂₀H₂₉NO₂

SMILES

C1CCN(CC1)CCCOC(=O)C2(CCCC2)C3=CC=CC=C3

InChI

InChI=1S/C20H29NO2/c22-19(23-17-9-16-21-14-7-2-8-15-21)20(12-5-6-13-20)18-10-3-1-4-11-18/h1,3-4,10-11H,2,5-9,12-17H2

InChIKey

ARRGVTWCAZMAOA-UHFFFAOYSA-N

Compound name

3-piperidin-1-ylpropyl 1-phenylcyclopentane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 315.21982 Da
Monoisotopic Mass: 4.4
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]+	316.227096	180.5
[M+Na]+	338.209038	181.4
[M-H]-	314.212544	186.4
[M+NH4]+	333.253643	195.9
[M+K]+	354.182978	177.7
[M+H-H2O]+	298.217080	170.8
[M+HCOO]-	360.218021	196.0
[M+CH3COO]-	374.233671	203.0
[M+Na-2H]-	336.194486	179.5
[M]+	315.21927142	174.7
[M]-	315.22036858	174.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.