CID 163050

Tropanyl benzylate

Structural Information

Molecular Formula
C21H23NO3
SMILES
C1CC2CCC([C@@H]1N2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI
InChI=1S/C21H23NO3/c23-20(25-19-14-12-17-11-13-18(19)22-17)21(24,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-19,22,24H,11-14H2/t17?,18-,19?/m1/s1
InChIKey
NZWSUYGDDPHLDZ-JLAWEPINSA-N
Compound name
[(1R)-8-azabicyclo[3.2.1]octan-2-yl] 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

0
Patents

337.1678 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.175076 179.7
[M+Na]+ 360.157018 182.1
[M-H]- 336.160524 183.5
[M+NH4]+ 355.201623 192.7
[M+K]+ 376.130958 176.8
[M+H-H2O]+ 320.165060 171.6
[M+HCOO]- 382.166001 191.4
[M+CH3COO]- 396.181651 187.5
[M+Na-2H]- 358.142466 182.2
[M]+ 337.16725142 174.0
[M]- 337.16834858 174.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.