CID 59781

2-(3,4-dimethoxybenzylidene)-3-oxyquinuclidine hydrochloride

Structural Information

Molecular Formula

C₁₆H₂₁NO₃

SMILES

COC1=C(C=C(C=C1)CC2C(=O)C3CCN2CC3)OC

InChI

InChI=1S/C16H21NO3/c1-19-14-4-3-11(10-15(14)20-2)9-13-16(18)12-5-7-17(13)8-6-12/h3-4,10,12-13H,5-9H2,1-2H3

InChIKey

DSWYSZXLXQSZDM-UHFFFAOYSA-N

Compound name

2-[(3,4-dimethoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 275.15213 Da
Monoisotopic Mass: 2.3
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]+	276.159406	162.9
[M+Na]+	298.141348	167.7
[M-H]-	274.144854	161.4
[M+NH4]+	293.185953	182.3
[M+K]+	314.115288	164.8
[M+H-H2O]+	258.149390	155.6
[M+HCOO]-	320.150331	173.3
[M+CH3COO]-	334.165981	172.2
[M+Na-2H]-	296.126796	171.1
[M]+	275.15158142	167.0
[M]-	275.15267858	167.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.