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 169.3
[M+Na]+ 312.15702 173.9
[M-H]- 288.16052 172.7
[M+NH4]+ 307.20162 186.7
[M+K]+ 328.13096 171.3
[M+H-H2O]+ 272.16506 160.9
[M+HCOO]- 334.16600 183.4
[M+CH3COO]- 348.18165 200.9
[M+Na-2H]- 310.14247 173.3
[M]+ 289.16725 167.2
[M]- 289.16835 167.2
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.