CID 80173

Dtxsid50957111

Structural Information

Molecular Formula

C₁₉H₂₃NO

SMILES

C1CCN(C1)CCC(C2=CC=CC=C2)(C3=CC=CC=C3)O

InChI

InChI=1S/C19H23NO/c21-19(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-20-14-7-8-15-20/h1-6,9-12,21H,7-8,13-16H2

InChIKey

KSWXNEXJRXELBA-UHFFFAOYSA-N

Compound name

1,1-diphenyl-3-pyrrolidin-1-ylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 281.17798 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]+	282.185256	168.3
[M+Na]+	304.167198	171.8
[M-H]-	280.170704	174.1
[M+NH4]+	299.211803	182.9
[M+K]+	320.141138	166.6
[M+H-H2O]+	264.175240	159.5
[M+HCOO]-	326.176181	186.0
[M+CH3COO]-	340.191831	196.0
[M+Na-2H]-	302.152646	171.6
[M]+	281.17743142	163.9
[M]-	281.17852858	163.9

Literature stripe

literature stripe

Patent stripe

patents stripe