CID 380260

101931-96-8

Structural Information

Molecular Formula
C20H27NO3
SMILES
C1CCC(C1)(C(C2=CC=CC=C2)C(=O)OC3CN4CCC3CC4)O
InChI
InChI=1S/C20H27NO3/c22-19(24-17-14-21-12-8-15(17)9-13-21)18(16-6-2-1-3-7-16)20(23)10-4-5-11-20/h1-3,6-7,15,17-18,23H,4-5,8-14H2
InChIKey
ZMPSKFMPHXKCJA-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl 2-(1-hydroxycyclopentyl)-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1991 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.206376 175.6
[M+Na]+ 352.188318 175.3
[M-H]- 328.191824 174.2
[M+NH4]+ 347.232923 194.3
[M+K]+ 368.162258 171.5
[M+H-H2O]+ 312.196360 167.6
[M+HCOO]- 374.197301 180.6
[M+CH3COO]- 388.212951 181.9
[M+Na-2H]- 350.173766 179.3
[M]+ 329.19855142 172.5
[M]- 329.19964858 172.5
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.