CID 58885

3-quinuclidyl phenyl(1-cyclopentenyl)glycolate a

Structural Information

Molecular Formula
C20H25NO3
SMILES
C1CC=C(C1)C(C2=CC=CC=C2)(C(=O)OC3CN4CCC3CC4)O
InChI
InChI=1S/C20H25NO3/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/h1-3,6-8,15,18,23H,4-5,9-14H2
InChIKey
HRGZDUGJXKGXRU-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl 2-(cyclopenten-1-yl)-2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

327.18344 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.19072 173.8
[M+Na]+ 350.17266 174.0
[M-H]- 326.17616 172.9
[M+NH4]+ 345.21726 190.8
[M+K]+ 366.14660 170.3
[M+H-H2O]+ 310.18070 166.7
[M+HCOO]- 372.18164 179.8
[M+CH3COO]- 386.19729 180.6
[M+Na-2H]- 348.15811 180.0
[M]+ 327.18289 172.2
[M]- 327.18399 172.2
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.