CID 40573

Brn 1486081

Structural Information

Molecular Formula
C17H23NO3
SMILES
COC(=O)N1CC2CCCC(C1)C2(C3=CC=CC=C3)OC
InChI
InChI=1S/C17H23NO3/c1-20-16(19)18-11-14-9-6-10-15(12-18)17(14,21-2)13-7-4-3-5-8-13/h3-5,7-8,14-15H,6,9-12H2,1-2H3
InChIKey
FOQUCUPDYPHYSL-UHFFFAOYSA-N
Compound name
methyl 9-methoxy-9-phenyl-3-azabicyclo[3.3.1]nonane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.1678 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.17508 169.7
[M+Na]+ 312.15702 181.3
[M+NH4]+ 307.20162 179.5
[M+K]+ 328.13096 172.3
[M-H]- 288.16052 172.4
[M+Na-2H]- 310.14247 175.3
[M]+ 289.16725 172.2
[M]- 289.16835 172.2
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.