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]+ 330.20638 175.6
[M+Na]+ 352.18832 175.3
[M-H]- 328.19182 174.2
[M+NH4]+ 347.23292 194.3
[M+K]+ 368.16226 171.5
[M+H-H2O]+ 312.19636 167.6
[M+HCOO]- 374.19730 180.6
[M+CH3COO]- 388.21295 181.9
[M+Na-2H]- 350.17377 179.3
[M]+ 329.19855 172.5
[M]- 329.19965 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.