CID 212328

Brn 0279636

Structural Information

Molecular Formula
C19H27NO2
SMILES
C1CCN(CC1)CCOC(=O)C2(CCCC2)C3=CC=CC=C3
InChI
InChI=1S/C19H27NO2/c21-18(22-16-15-20-13-7-2-8-14-20)19(11-5-6-12-19)17-9-3-1-4-10-17/h1,3-4,9-10H,2,5-8,11-16H2
InChIKey
LFNQZZQYEWWBGO-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl 1-phenylcyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

301.2042 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.21148 176.1
[M+Na]+ 324.19342 177.4
[M-H]- 300.19692 182.3
[M+NH4]+ 319.23802 192.1
[M+K]+ 340.16736 174.0
[M+H-H2O]+ 284.20146 166.6
[M+HCOO]- 346.20240 192.0
[M+CH3COO]- 360.21805 200.1
[M+Na-2H]- 322.17887 175.7
[M]+ 301.20365 170.0
[M]- 301.20475 170.0
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