CID 17136

9-azabicyclo(3.3.1)nonan-3-alpha-ol, 9-methyl-7-beta-phenyl-, acetate (ester), hydrochloride

Structural Information

Molecular Formula
C17H23NO2
SMILES
CC(=O)OC1CC2CC(CC(C1)N2C)C3=CC=CC=C3
InChI
InChI=1S/C17H23NO2/c1-12(19)20-17-10-15-8-14(9-16(11-17)18(15)2)13-6-4-3-5-7-13/h3-7,14-17H,8-11H2,1-2H3
InChIKey
SBWLGXPNHXYWAU-UHFFFAOYSA-N
Compound name
(9-methyl-7-phenyl-9-azabicyclo[3.3.1]nonan-3-yl) acetate
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 165.4
[M+Na]+ 296.16210 169.9
[M-H]- 272.16560 168.8
[M+NH4]+ 291.20670 181.6
[M+K]+ 312.13604 166.4
[M+H-H2O]+ 256.17014 157.1
[M+HCOO]- 318.17108 179.3
[M+CH3COO]- 332.18673 201.2
[M+Na-2H]- 294.14755 167.6
[M]+ 273.17233 162.0
[M]- 273.17343 162.0
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.