CID 58876

3-quinuclidyl phenyl(1-butynyl)glycolate

Structural Information

Molecular Formula
C19H23NO3
SMILES
CCC#CC(C1=CC=CC=C1)(C(=O)OC2CN3CCC2CC3)O
InChI
InChI=1S/C19H23NO3/c1-2-3-11-19(22,16-7-5-4-6-8-16)18(21)23-17-14-20-12-9-15(17)10-13-20/h4-8,15,17,22H,2,9-10,12-14H2,1H3
InChIKey
BEESRXUFFXFIJA-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenylhex-3-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1678 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.17508 181.1
[M+Na]+ 336.15702 190.3
[M+NH4]+ 331.20162 185.9
[M+K]+ 352.13096 180.2
[M-H]- 312.16052 171.6
[M+Na-2H]- 334.14247 176.7
[M]+ 313.16725 178.8
[M]- 313.16835 178.8
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.