CID 120862

1-pyrrolidineethanol, alpha-(2,2-diphenylethyl)-

Structural Information

Molecular Formula

C₂₀H₂₅NO

SMILES

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

InChI

InChI=1S/C20H25NO/c22-19(16-21-13-7-8-14-21)15-20(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,19-20,22H,7-8,13-16H2

InChIKey

VPJMJARALUNGMR-UHFFFAOYSA-N

Compound name

4,4-diphenyl-1-pyrrolidin-1-ylbutan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 295.1936 Da
Monoisotopic Mass: 3.9
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]+	296.200876	173.2
[M+Na]+	318.182818	175.1
[M-H]-	294.186324	178.6
[M+NH4]+	313.227423	186.9
[M+K]+	334.156758	170.2
[M+H-H2O]+	278.190860	163.8
[M+HCOO]-	340.191801	190.2
[M+CH3COO]-	354.207451	182.1
[M+Na-2H]-	316.168266	172.8
[M]+	295.19305142	168.4
[M]-	295.19414858	168.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe