CID 3019485

83929-36-6

Structural Information

Molecular Formula

C₁₆H₂₂N₂O

SMILES

C1CCN(C1)C(=O)C2(CCNCC2)C3=CC=CC=C3

InChI

InChI=1S/C16H22N2O/c19-15(18-12-4-5-13-18)16(8-10-17-11-9-16)14-6-2-1-3-7-14/h1-3,6-7,17H,4-5,8-13H2

InChIKey

AXZIQVRCWWIWGP-UHFFFAOYSA-N

Compound name

(4-phenylpiperidin-4-yl)-pyrrolidin-1-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 80
Patents: 258.17322 Da
Monoisotopic Mass: 1.7
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]+	259.180496	163.9
[M+Na]+	281.162438	166.3
[M-H]-	257.165944	167.9
[M+NH4]+	276.207043	179.7
[M+K]+	297.136378	162.0
[M+H-H2O]+	241.170480	154.4
[M+HCOO]-	303.171421	177.9
[M+CH3COO]-	317.187071	172.7
[M+Na-2H]-	279.147886	164.6
[M]+	258.17267142	154.1
[M]-	258.17376858	154.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe