CID 91725431

1-phenethyl-4-propionyloxypiperidine

Structural Information

Molecular Formula
C16H23NO2
SMILES
CCC(=O)OC1CCN(CC1)CCC2=CC=CC=C2
InChI
InChI=1S/C16H23NO2/c1-2-16(18)19-15-9-12-17(13-10-15)11-8-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3
InChIKey
GOSSUQADQNIAMB-UHFFFAOYSA-N
Compound name
[1-(2-phenylethyl)piperidin-4-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

261.17288 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.180156 163.6
[M+Na]+ 284.162098 167.1
[M-H]- 260.165604 167.4
[M+NH4]+ 279.206703 178.4
[M+K]+ 300.136038 164.2
[M+H-H2O]+ 244.170140 154.8
[M+HCOO]- 306.171081 181.3
[M+CH3COO]- 320.186731 196.2
[M+Na-2H]- 282.147546 165.6
[M]+ 261.17233142 161.3
[M]- 261.17342858 161.3
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.