CID 162571

49665-76-1

Structural Information

Molecular Formula
C20H27NO2
SMILES
C1CCC(CC1)(C2=CC=CC=C2)C(=O)OC3CN4CCC3CC4
InChI
InChI=1S/C20H27NO2/c22-19(23-18-15-21-13-9-16(18)10-14-21)20(11-5-2-6-12-20)17-7-3-1-4-8-17/h1,3-4,7-8,16,18H,2,5-6,9-15H2
InChIKey
DGCDVGUAZJYESZ-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl 1-phenylcyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

313.2042 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.21148 171.9
[M+Na]+ 336.19342 171.4
[M-H]- 312.19692 171.2
[M+NH4]+ 331.23802 189.8
[M+K]+ 352.16736 167.3
[M+H-H2O]+ 296.20146 161.6
[M+HCOO]- 358.20240 176.8
[M+CH3COO]- 372.21805 178.1
[M+Na-2H]- 334.17887 178.5
[M]+ 313.20365 167.1
[M]- 313.20475 167.1
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

patents stripe