CID 3066569

110549-08-1

Structural Information

Molecular Formula
C17H23NO2
SMILES
CCOC(=O)[C@@]1(C[C@H]2CC[C@@H]1N(C2)C)C3=CC=CC=C3
InChI
InChI=1S/C17H23NO2/c1-3-20-16(19)17(14-7-5-4-6-8-14)11-13-9-10-15(17)18(2)12-13/h4-8,13,15H,3,9-12H2,1-2H3/t13-,15+,17+/m1/s1
InChIKey
YWFJDJWWFMITEO-KMFMINBZSA-N
Compound name
ethyl (1S,4R,6S)-2-methyl-6-phenyl-2-azabicyclo[2.2.2]octane-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.17288 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.18016 163.7
[M+Na]+ 296.16210 175.1
[M+NH4]+ 291.20670 175.3
[M+K]+ 312.13604 165.2
[M-H]- 272.16560 163.7
[M+Na-2H]- 294.14755 164.8
[M]+ 273.17233 165.5
[M]- 273.17343 165.5
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

No patent data available for this compound.