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]+ 246.14887 154.6
[M+Na]+ 268.13081 159.2
[M-H]- 244.13431 153.1
[M+NH4]+ 263.17541 175.0
[M+K]+ 284.10475 155.8
[M+H-H2O]+ 228.13885 147.4
[M+HCOO]- 290.13979 165.4
[M+CH3COO]- 304.15544 164.3
[M+Na-2H]- 266.11626 163.9
[M]+ 245.14104 156.5
[M]- 245.14214 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