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]+ 274.180156 165.7
[M+Na]+ 296.162098 169.4
[M-H]- 272.165604 163.7
[M+NH4]+ 291.206703 186.7
[M+K]+ 312.136038 166.0
[M+H-H2O]+ 256.170140 157.9
[M+HCOO]- 318.171081 174.7
[M+CH3COO]- 332.186731 174.4
[M+Na-2H]- 294.147546 174.1
[M]+ 273.17233142 167.4
[M]- 273.17342858 167.4
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.