CID 13371165

3-quinuclidyl cyclopentyl(4-methyl-1-butynyl)glycolate

Structural Information

Molecular Formula
C19H29NO3
SMILES
CC(C)C#CC(C1CCCC1)(C(=O)OC2CN3CCC2CC3)O
InChI
InChI=1S/C19H29NO3/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/h14-17,22H,3-6,8-9,11-13H2,1-2H3
InChIKey
SHGDTNOZKWOXTF-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl 2-cyclopentyl-2-hydroxy-5-methylhex-3-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.21475 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.22203 183.4
[M+Na]+ 342.20397 186.9
[M-H]- 318.20747 178.2
[M+NH4]+ 337.24857 199.4
[M+K]+ 358.17791 177.6
[M+H-H2O]+ 302.21201 172.8
[M+HCOO]- 364.21295 182.4
[M+CH3COO]- 378.22860 212.8
[M+Na-2H]- 340.18942 184.6
[M]+ 319.21420 176.2
[M]- 319.21530 176.2
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.