CID 3063754

3-quinuclidyl alpha-(2-cyclohexenyl)-alpha-phenylglycolate

Structural Information

Molecular Formula
C21H27NO3
SMILES
C1CC=CC(C1)C(C2=CC=CC=C2)(C(=O)OC3CN4CCC3CC4)O
InChI
InChI=1S/C21H27NO3/c23-20(25-19-15-22-13-11-16(19)12-14-22)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1,3-5,7-9,16,18-19,24H,2,6,10-15H2
InChIKey
RCKXTVPHXGVNOJ-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl 2-cyclohex-2-en-1-yl-2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.1991 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.20638 176.5
[M+Na]+ 364.18832 186.4
[M+NH4]+ 359.23292 186.0
[M+K]+ 380.16226 179.3
[M-H]- 340.19182 177.2
[M+Na-2H]- 362.17377 177.1
[M]+ 341.19855 178.0
[M]- 341.19965 178.0
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.