CID 120644

1-alpha-h,5-alpha-h-tropan-3-alpha-ol, m-bromophenylacetate, hydrochloride

Structural Information

Molecular Formula
C16H20BrNO2
SMILES
CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)CC3=CC(=CC=C3)Br
InChI
InChI=1S/C16H20BrNO2/c1-18-13-5-6-14(18)10-15(9-13)20-16(19)8-11-3-2-4-12(17)7-11/h2-4,7,13-15H,5-6,8-10H2,1H3/t13-,14+,15?
InChIKey
PSVRJXFSQANCRS-YIONKMFJSA-N
Compound name
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-(3-bromophenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.06775 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.07503 174.1
[M+Na]+ 360.05697 175.7
[M+NH4]+ 355.10157 178.8
[M+K]+ 376.03091 176.2
[M-H]- 336.06047 174.6
[M+Na-2H]- 358.04242 174.0
[M]+ 337.06720 173.1
[M]- 337.06830 173.1
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.