CID 3063903

2-phenyl-2-norbornanecarboxylic acid 3-quinuclidinyl ester hydrochloride

Structural Information

Molecular Formula
C21H27NO2
SMILES
C1CC2CC1CC2(C3=CC=CC=C3)C(=O)OC4CN5CCC4CC5
InChI
InChI=1S/C21H27NO2/c23-20(24-19-14-22-10-8-16(19)9-11-22)21(17-4-2-1-3-5-17)13-15-6-7-18(21)12-15/h1-5,15-16,18-19H,6-14H2
InChIKey
FQCVTOPRGIZMJE-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl 2-phenylbicyclo[2.2.1]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.2042 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.21148 171.7
[M+Na]+ 348.19342 172.8
[M-H]- 324.19692 171.6
[M+NH4]+ 343.23802 194.3
[M+K]+ 364.16736 167.5
[M+H-H2O]+ 308.20146 163.5
[M+HCOO]- 370.20240 177.4
[M+CH3COO]- 384.21805 178.9
[M+Na-2H]- 346.17887 174.2
[M]+ 325.20365 169.8
[M]- 325.20475 169.8
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

No patent data available for this compound.