CID 59783

2-(4-methoxybenzylidene)-3-oxyquinuclidine hydrochloride

Structural Information

Molecular Formula
C15H19NO2
SMILES
COC1=CC=C(C=C1)CC2C(=O)C3CCN2CC3
InChI
InChI=1S/C15H19NO2/c1-18-13-4-2-11(3-5-13)10-14-15(17)12-6-8-16(14)9-7-12/h2-5,12,14H,6-10H2,1H3
InChIKey
CJHPRGUTBSPKDJ-UHFFFAOYSA-N
Compound name
2-[(4-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

245.14159 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.148866 154.6
[M+Na]+ 268.130808 159.2
[M-H]- 244.134314 153.1
[M+NH4]+ 263.175413 175.0
[M+K]+ 284.104748 155.8
[M+H-H2O]+ 228.138850 147.4
[M+HCOO]- 290.139791 165.4
[M+CH3COO]- 304.155441 164.3
[M+Na-2H]- 266.116256 163.9
[M]+ 245.14104142 156.5
[M]- 245.14213858 156.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe