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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.15941 162.9
[M+Na]+ 298.14135 167.7
[M-H]- 274.14485 161.4
[M+NH4]+ 293.18595 182.3
[M+K]+ 314.11529 164.8
[M+H-H2O]+ 258.14939 155.6
[M+HCOO]- 320.15033 173.3
[M+CH3COO]- 334.16598 172.2
[M+Na-2H]- 296.12680 171.1
[M]+ 275.15158 167.0
[M]- 275.15268 167.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.