CID 3052843

69352-94-9

Structural Information

Molecular Formula
C20H29NO2
SMILES
C1CCN(CC1)CCCOC(=O)C2(CCCC2)C3=CC=CC=C3
InChI
InChI=1S/C20H29NO2/c22-19(23-17-9-16-21-14-7-2-8-15-21)20(12-5-6-13-20)18-10-3-1-4-11-18/h1,3-4,10-11H,2,5-9,12-17H2
InChIKey
ARRGVTWCAZMAOA-UHFFFAOYSA-N
Compound name
3-piperidin-1-ylpropyl 1-phenylcyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.21982 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.22710 181.8
[M+Na]+ 338.20904 191.5
[M+NH4]+ 333.25364 191.2
[M+K]+ 354.18298 183.4
[M-H]- 314.21254 186.3
[M+Na-2H]- 336.19449 189.3
[M]+ 315.21927 184.4
[M]- 315.22037 184.4
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.