CID 13371164

3-quinuclidyl cyclopentyl(3-methyl-but-1-yn-3-enyl)glycolate

Structural Information

Molecular Formula
C19H27NO3
SMILES
CC(=C)C#CC(C1CCCC1)(C(=O)OC2CN3CCC2CC3)O
InChI
InChI=1S/C19H27NO3/c1-14(2)7-10-19(22,16-5-3-4-6-16)18(21)23-17-13-20-11-8-15(17)9-12-20/h15-17,22H,1,3-6,8-9,11-13H2,2H3
InChIKey
FWNLSTJGPPWZGW-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl 2-cyclopentyl-2-hydroxy-5-methylhex-5-en-3-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.1991 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.20638 181.2
[M+Na]+ 340.18832 186.6
[M+NH4]+ 335.23292 185.2
[M+K]+ 356.16226 179.8
[M-H]- 316.19182 169.9
[M+Na-2H]- 338.17377 173.2
[M]+ 317.19855 177.5
[M]- 317.19965 177.5
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.