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 171.8
[M+Na]+ 316.18832 171.2
[M-H]- 292.19182 167.1
[M+NH4]+ 311.23292 190.5
[M+K]+ 332.16226 168.5
[M+H-H2O]+ 276.19636 166.8
[M+HCOO]- 338.19730 174.9
[M+CH3COO]- 352.21295 203.9
[M+Na-2H]- 314.17377 175.1
[M]+ 293.19855 169.0
[M]- 293.19965 169.0
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.