CID 58828

3-quinuclidyl phenyl(1-propynyl)glycolate a

Structural Information

Molecular Formula
C18H21NO3
SMILES
CC#CC(C1=CC=CC=C1)(C(=O)OC2CN3CCC2CC3)O
InChI
InChI=1S/C18H21NO3/c1-2-10-18(21,15-6-4-3-5-7-15)17(20)22-16-13-19-11-8-14(16)9-12-19/h3-7,14,16,21H,8-9,11-13H2,1H3
InChIKey
YCRGZXDHAYBAPE-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenylpent-3-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.15213 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.15941 177.1
[M+Na]+ 322.14135 182.8
[M-H]- 298.14485 172.6
[M+NH4]+ 317.18595 192.2
[M+K]+ 338.11529 173.4
[M+H-H2O]+ 282.14939 165.4
[M+HCOO]- 344.15033 179.1
[M+CH3COO]- 358.16598 182.8
[M+Na-2H]- 320.12680 183.8
[M]+ 299.15158 171.9
[M]- 299.15268 171.9
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.