CID 3044808

Alpha,alpha-diphenyl-3-quinuclidineethanol

Structural Information

Molecular Formula

C₂₁H₂₅NO

SMILES

C1CN2CCC1C(C2)CC(C3=CC=CC=C3)(C4=CC=CC=C4)O

InChI

InChI=1S/C21H25NO/c23-21(19-7-3-1-4-8-19,20-9-5-2-6-10-20)15-18-16-22-13-11-17(18)12-14-22/h1-10,17-18,23H,11-16H2

InChIKey

RBPCUBPNDXDMKG-UHFFFAOYSA-N

Compound name

2-(1-azabicyclo[2.2.2]octan-3-yl)-1,1-diphenylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 307.1936 Da
Monoisotopic Mass: 3.7
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]+	308.200876	171.5
[M+Na]+	330.182818	172.6
[M-H]-	306.186324	170.5
[M+NH4]+	325.227423	187.6
[M+K]+	346.156758	167.0
[M+H-H2O]+	290.190860	162.6
[M+HCOO]-	352.191801	178.2
[M+CH3COO]-	366.207451	178.3
[M+Na-2H]-	328.168266	181.5
[M]+	307.19305142	169.0
[M]-	307.19414858	169.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe