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]+ 318.206376 183.4
[M+Na]+ 340.188318 187.2
[M-H]- 316.191824 178.3
[M+NH4]+ 335.232923 199.4
[M+K]+ 356.162258 177.3
[M+H-H2O]+ 300.196360 172.8
[M+HCOO]- 362.197301 182.6
[M+CH3COO]- 376.212951 212.2
[M+Na-2H]- 338.173766 184.5
[M]+ 317.19855142 175.6
[M]- 317.19964858 175.6
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.