CID 120638

Tropine (o-tolyl)acetate hydrochloride

Structural Information

Molecular Formula
C17H23NO2
SMILES
CC1=CC=CC=C1CC(=O)OC2C[C@H]3CC[C@@H](C2)N3C
InChI
InChI=1S/C17H23NO2/c1-12-5-3-4-6-13(12)9-17(19)20-16-10-14-7-8-15(11-16)18(14)2/h3-6,14-16H,7-11H2,1-2H3/t14-,15+,16?
InChIKey
HRLQJVXRIYXKKZ-XYPWUTKMSA-N
Compound name
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-(2-methylphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.17288 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.18016 165.7
[M+Na]+ 296.16210 176.9
[M+NH4]+ 291.20670 174.4
[M+K]+ 312.13604 171.5
[M-H]- 272.16560 168.2
[M+Na-2H]- 294.14755 169.0
[M]+ 273.17233 167.9
[M]- 273.17343 167.9
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.