CID 6083360

101710-89-8

Structural Information

Molecular Formula
C22H29NO3
SMILES
C1CCC(C1)C(C2=CC=CC=C2)(C(=O)OC/C=C\3/CN4CCC3CC4)O
InChI
InChI=1S/C22H29NO3/c24-21(26-15-12-18-16-23-13-10-17(18)11-14-23)22(25,20-8-4-5-9-20)19-6-2-1-3-7-19/h1-3,6-7,12,17,20,25H,4-5,8-11,13-16H2/b18-12-
InChIKey
VTVBGPKUWNGRNV-PDGQHHTCSA-N
Compound name
[(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethyl] 2-cyclopentyl-2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.21475 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.22203 182.8
[M+Na]+ 378.20397 181.4
[M-H]- 354.20747 180.9
[M+NH4]+ 373.24857 198.5
[M+K]+ 394.17791 176.8
[M+H-H2O]+ 338.21201 175.4
[M+HCOO]- 400.21295 186.7
[M+CH3COO]- 414.22860 188.2
[M+Na-2H]- 376.18942 186.9
[M]+ 355.21420 179.5
[M]- 355.21530 179.5
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.