CID 58159

3-quinuclidyl cyclobutyl(1-propynyl)glycolate a

Structural Information

Molecular Formula
C16H23NO3
SMILES
CC#CC(C1CCC1)(C(=O)OC2CN3CCC2CC3)O
InChI
InChI=1S/C16H23NO3/c1-2-8-16(19,13-4-3-5-13)15(18)20-14-11-17-9-6-12(14)7-10-17/h12-14,19H,3-7,9-11H2,1H3
InChIKey
LXIZPACCRLUEJK-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl 2-cyclobutyl-2-hydroxypent-3-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1678 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.17508 172.7
[M+Na]+ 300.15702 176.0
[M+NH4]+ 295.20162 173.9
[M+K]+ 316.13096 169.1
[M-H]- 276.16052 160.1
[M+Na-2H]- 298.14247 164.3
[M]+ 277.16725 167.5
[M]- 277.16835 167.5
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.