CID 58820

3-quinuclidyl phenyl(3-methyl-1-pentynyl)glycolate a

Structural Information

Molecular Formula
C21H27NO3
SMILES
CCC(C)C#CC(C1=CC=CC=C1)(C(=O)OC2CN3CCC2CC3)O
InChI
InChI=1S/C21H27NO3/c1-3-16(2)9-12-21(24,18-7-5-4-6-8-18)20(23)25-19-15-22-13-10-17(19)11-14-22/h4-8,16-17,19,24H,3,10-11,13-15H2,1-2H3
InChIKey
ILCDYUPSRCDDOW-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-5-methyl-2-phenylhept-3-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.1991 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.20638 188.0
[M+Na]+ 364.18832 196.5
[M+NH4]+ 359.23292 192.4
[M+K]+ 380.16226 186.7
[M-H]- 340.19182 178.3
[M+Na-2H]- 362.17377 182.9
[M]+ 341.19855 185.5
[M]- 341.19965 185.5
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.