CID 33597

3-quinuclidinyl phenylcyclopentylglycolate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

329.1991 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.20638 174.5
[M+Na]+ 352.18832 173.7
[M-H]- 328.19182 173.1
[M+NH4]+ 347.23292 191.4
[M+K]+ 368.16226 170.1
[M+H-H2O]+ 312.19636 167.5
[M+HCOO]- 374.19730 179.0
[M+CH3COO]- 388.21295 180.8
[M+Na-2H]- 350.17377 179.7
[M]+ 329.19855 171.5
[M]- 329.19965 171.5
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

patents stripe