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 169.2
[M+Na]+ 312.15702 174.5
[M-H]- 288.16052 173.1
[M+NH4]+ 307.20162 186.8
[M+K]+ 328.13096 171.6
[M+H-H2O]+ 272.16506 161.7
[M+HCOO]- 334.16600 185.6
[M+CH3COO]- 348.18165 202.6
[M+Na-2H]- 310.14247 169.8
[M]+ 289.16725 169.6
[M]- 289.16835 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.