CID 201486

6071-96-1

Structural Information

Molecular Formula

C₁₈H₂₁NO

SMILES

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

InChI

InChI=1S/C18H21NO/c20-18(15-19-13-7-8-14-19,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12,20H,7-8,13-15H2

InChIKey

JLWRUIGVRORVHH-UHFFFAOYSA-N

Compound name

1,1-diphenyl-2-pyrrolidin-1-ylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 267.16232 Da
Monoisotopic Mass: 3.1
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]+	268.16960	163.8
[M+Na]+	290.15154	167.7
[M-H]-	266.15504	169.8
[M+NH4]+	285.19614	179.0
[M+K]+	306.12548	162.8
[M+H-H2O]+	250.15958	155.2
[M+HCOO]-	312.16052	181.9
[M+CH3COO]-	326.17617	174.0
[M+Na-2H]-	288.13699	167.7
[M]+	267.16177	159.1
[M]-	267.16287	159.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe