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 183.4
[M+Na]+ 340.18832 187.2
[M-H]- 316.19182 178.3
[M+NH4]+ 335.23292 199.4
[M+K]+ 356.16226 177.3
[M+H-H2O]+ 300.19636 172.8
[M+HCOO]- 362.19730 182.6
[M+CH3COO]- 376.21295 212.2
[M+Na-2H]- 338.17377 184.5
[M]+ 317.19855 175.6
[M]- 317.19965 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.