CID 3040376

52123-58-7

Structural Information

Molecular Formula
C17H23NO2
SMILES
CCOC(=O)C1(CC2CCC(C1)N2C)C3=CC=CC=C3
InChI
InChI=1S/C17H23NO2/c1-3-20-16(19)17(13-7-5-4-6-8-13)11-14-9-10-15(12-17)18(14)2/h4-8,14-15H,3,9-12H2,1-2H3
InChIKey
PABSTTBTKJAFQI-UHFFFAOYSA-N
Compound name
ethyl 8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.17288 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.18016 166.6
[M+Na]+ 296.16210 177.5
[M+NH4]+ 291.20670 176.7
[M+K]+ 312.13604 170.2
[M-H]- 272.16560 169.0
[M+Na-2H]- 294.14755 171.6
[M]+ 273.17233 168.8
[M]- 273.17343 168.8
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.