CID 150987

2260-35-7

Structural Information

Molecular Formula

C₂₀H₂₅NO

SMILES

CC(CN1CCCC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O

InChI

InChI=1S/C20H25NO/c1-17(16-21-14-8-9-15-21)20(22,18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-7,10-13,17,22H,8-9,14-16H2,1H3

InChIKey

XVAIJJSJCGMFMJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
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	172.8
[M+Na]+	318.182818	175.5
[M-H]-	294.186324	178.5
[M+NH4]+	313.227423	186.7
[M+K]+	334.156758	170.6
[M+H-H2O]+	278.190860	164.0
[M+HCOO]-	340.191801	189.1
[M+CH3COO]-	354.207451	199.7
[M+Na-2H]-	316.168266	174.5
[M]+	295.19305142	168.1
[M]-	295.19414858	168.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.