CID 297108

2-ethyl-3-quinuclidyl cyclopentyl(1-propynyl)glycolate

Structural Information

Molecular Formula
C19H29NO3
SMILES
CCC1C(C2CCN1CC2)OC(=O)C(C#CC)(C3CCCC3)O
InChI
InChI=1S/C19H29NO3/c1-3-11-19(22,15-7-5-6-8-15)18(21)23-17-14-9-12-20(13-10-14)16(17)4-2/h14-17,22H,4-10,12-13H2,1-2H3
InChIKey
ODQRBIGXTBQBIM-UHFFFAOYSA-N
Compound name
(2-ethyl-1-azabicyclo[2.2.2]octan-3-yl) 2-cyclopentyl-2-hydroxypent-3-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.21475 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.22203 181.0
[M+Na]+ 342.20397 187.0
[M+NH4]+ 337.24857 185.3
[M+K]+ 358.17791 179.8
[M-H]- 318.20747 170.2
[M+Na-2H]- 340.18942 173.3
[M]+ 319.21420 177.7
[M]- 319.21530 177.7
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.