CID 3064012

3-quinuclidyl cyclopentyl(2-propenyl)glycolate

Structural Information

Molecular Formula
C17H27NO3
SMILES
CC(=C)C(C1CCCC1)(C(=O)OC2CN3CCC2CC3)O
InChI
InChI=1S/C17H27NO3/c1-12(2)17(20,14-5-3-4-6-14)16(19)21-15-11-18-9-7-13(15)8-10-18/h13-15,20H,1,3-11H2,2H3
InChIKey
FWUUDTAVGYDYLY-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl 2-cyclopentyl-2-hydroxy-3-methylbut-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1991 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.20638 165.1
[M+Na]+ 316.18832 170.3
[M+NH4]+ 311.23292 173.2
[M+K]+ 332.16226 167.9
[M-H]- 292.19182 161.5
[M+Na-2H]- 314.17377 160.2
[M]+ 293.19855 164.3
[M]- 293.19965 164.3
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.