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]+ 290.175076 169.2
[M+Na]+ 312.157018 174.5
[M-H]- 288.160524 173.1
[M+NH4]+ 307.201623 186.8
[M+K]+ 328.130958 171.6
[M+H-H2O]+ 272.165060 161.7
[M+HCOO]- 334.166001 185.6
[M+CH3COO]- 348.181651 202.6
[M+Na-2H]- 310.142466 169.8
[M]+ 289.16725142 169.6
[M]- 289.16834858 169.6
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.