CID 56510

3-quinuclidyl phenyl(1-heptynyl)glycolate b

Structural Information

Molecular Formula
C22H29NO3
SMILES
CCCCCC#CC(C1=CC=CC=C1)(C(=O)OC2CN3CCC2CC3)O
InChI
InChI=1S/C22H29NO3/c1-2-3-4-5-9-14-22(25,19-10-7-6-8-11-19)21(24)26-20-17-23-15-12-18(20)13-16-23/h6-8,10-11,18,20,25H,2-5,12-13,15-17H2,1H3
InChIKey
KTIZDUCGIMKBDX-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenylnon-3-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.21475 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.22203 193.1
[M+Na]+ 378.20397 197.2
[M-H]- 354.20747 187.9
[M+NH4]+ 373.24857 206.2
[M+K]+ 394.17791 187.0
[M+H-H2O]+ 338.21201 180.7
[M+HCOO]- 400.21295 193.8
[M+CH3COO]- 414.22860 219.3
[M+Na-2H]- 376.18942 197.9
[M]+ 355.21420 188.9
[M]- 355.21530 188.9
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.