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]+ 332.22203 187.9
[M+Na]+ 354.20397 192.0
[M-H]- 330.20747 182.9
[M+NH4]+ 349.24857 203.6
[M+K]+ 370.17791 182.1
[M+H-H2O]+ 314.21201 177.5
[M+HCOO]- 376.21295 186.6
[M+CH3COO]- 390.22860 215.9
[M+Na-2H]- 352.18942 188.0
[M]+ 331.21420 180.6
[M]- 331.21530 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.