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]+ 320.222026 182.5
[M+Na]+ 342.203968 187.0
[M-H]- 318.207474 177.7
[M+NH4]+ 337.248573 198.8
[M+K]+ 358.177908 177.4
[M+H-H2O]+ 302.212010 172.0
[M+HCOO]- 364.212951 182.4
[M+CH3COO]- 378.228601 213.7
[M+Na-2H]- 340.189416 184.2
[M]+ 319.21420142 176.3
[M]- 319.21529858 176.3
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.