CID 18071353

Ethyl 3-phenyl-3-(piperidin-4-yl)propanoate hydrochloride

Structural Information

Molecular Formula
C16H23NO2
SMILES
CCOC(=O)CC(C1CCNCC1)C2=CC=CC=C2
InChI
InChI=1S/C16H23NO2/c1-2-19-16(18)12-15(13-6-4-3-5-7-13)14-8-10-17-11-9-14/h3-7,14-15,17H,2,8-12H2,1H3
InChIKey
WZKUTVIACZTEND-UHFFFAOYSA-N
Compound name
ethyl 3-phenyl-3-piperidin-4-ylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.17288 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.18016 164.2
[M+Na]+ 284.16210 166.0
[M-H]- 260.16560 166.3
[M+NH4]+ 279.20670 177.9
[M+K]+ 300.13604 162.7
[M+H-H2O]+ 244.17014 155.7
[M+HCOO]- 306.17108 179.3
[M+CH3COO]- 320.18673 193.4
[M+Na-2H]- 282.14755 165.3
[M]+ 261.17233 159.1
[M]- 261.17343 159.1
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

No patent data available for this compound.