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]+ 338.17508 180.7
[M+Na]+ 360.15702 191.2
[M+NH4]+ 355.20162 188.3
[M+K]+ 376.13096 186.6
[M-H]- 336.16052 183.6
[M+Na-2H]- 358.14247 186.0
[M]+ 337.16725 182.8
[M]- 337.16835 182.8
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.