CID 3064013

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

Structural Information

Molecular Formula
C20H29NO3
SMILES
CC1C(C2CCN1CC2)OC(=O)C(C#CC(=C)C)(C3CCCC3)O
InChI
InChI=1S/C20H29NO3/c1-14(2)8-11-20(23,17-6-4-5-7-17)19(22)24-18-15(3)21-12-9-16(18)10-13-21/h15-18,23H,1,4-7,9-10,12-13H2,2-3H3
InChIKey
IOYJWKAGZYOPMJ-UHFFFAOYSA-N
Compound name
(2-methyl-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

331.21475 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.222026 187.9
[M+Na]+ 354.203968 192.0
[M-H]- 330.207474 182.9
[M+NH4]+ 349.248573 203.6
[M+K]+ 370.177908 182.1
[M+H-H2O]+ 314.212010 177.5
[M+HCOO]- 376.212951 186.6
[M+CH3COO]- 390.228601 215.9
[M+Na-2H]- 352.189416 188.0
[M]+ 331.21420142 180.6
[M]- 331.21529858 180.6
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.