CID 24844556

3-quinuclidyl-2-pyridyl(1-propynyl)glycolate

Structural Information

Molecular Formula
C17H20N2O3
SMILES
CC#CC(C1=CC=CC=N1)(C(=O)OC2CN3CCC2CC3)O
InChI
InChI=1S/C17H20N2O3/c1-2-8-17(21,15-5-3-4-9-18-15)16(20)22-14-12-19-10-6-13(14)7-11-19/h3-5,9,13-14,21H,6-7,10-12H2,1H3
InChIKey
UAUHDTIWSOFTFA-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-pyridin-2-ylpent-3-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.1474 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.15468 177.6
[M+Na]+ 323.13662 186.9
[M+NH4]+ 318.18122 181.9
[M+K]+ 339.11056 177.5
[M-H]- 299.14012 167.5
[M+Na-2H]- 321.12207 173.2
[M]+ 300.14685 175.1
[M]- 300.14795 175.1
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.