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 180.5
[M+Na]+ 338.20904 181.4
[M-H]- 314.21254 186.4
[M+NH4]+ 333.25364 195.9
[M+K]+ 354.18298 177.7
[M+H-H2O]+ 298.21708 170.8
[M+HCOO]- 360.21802 196.0
[M+CH3COO]- 374.23367 203.0
[M+Na-2H]- 336.19449 179.5
[M]+ 315.21927 174.7
[M]- 315.22037 174.7
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.