CID 201109

3-psi-tropine p-methoxyphenylacetate hydrochloride

Structural Information

Molecular Formula
C17H23NO3
SMILES
CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)CC3=CC=C(C=C3)OC
InChI
InChI=1S/C17H23NO3/c1-18-13-5-6-14(18)11-16(10-13)21-17(19)9-12-3-7-15(20-2)8-4-12/h3-4,7-8,13-14,16H,5-6,9-11H2,1-2H3/t13-,14+,16?
InChIKey
GUAFGFAQDAYXMV-MZBDJJRSSA-N
Compound name
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-(4-methoxyphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.1678 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.17508 168.7
[M+Na]+ 312.15702 179.4
[M+NH4]+ 307.20162 176.8
[M+K]+ 328.13096 174.6
[M-H]- 288.16052 170.7
[M+Na-2H]- 310.14247 171.6
[M]+ 289.16725 170.6
[M]- 289.16835 170.6
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.