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 174.8
[M+Na]+ 323.13662 180.4
[M-H]- 299.14012 168.8
[M+NH4]+ 318.18122 188.4
[M+K]+ 339.11056 171.6
[M+H-H2O]+ 283.14466 162.1
[M+HCOO]- 345.14560 175.8
[M+CH3COO]- 359.16125 180.1
[M+Na-2H]- 321.12207 182.0
[M]+ 300.14685 169.6
[M]- 300.14795 169.6
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.