CID 207534

Propiophenone, 3'-ethyl-4'-hydroxy-3-piperidino-, hydrochloride

Structural Information

Molecular Formula
C16H23NO2
SMILES
CCC1=C(C=CC(=C1)C(=O)CCN2CCCCC2)O
InChI
InChI=1S/C16H23NO2/c1-2-13-12-14(6-7-15(13)18)16(19)8-11-17-9-4-3-5-10-17/h6-7,12,18H,2-5,8-11H2,1H3
InChIKey
YRYNKMLUKASIEW-UHFFFAOYSA-N
Compound name
1-(3-ethyl-4-hydroxyphenyl)-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.17288 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.180156 163.5
[M+Na]+ 284.162098 167.5
[M-H]- 260.165604 166.3
[M+NH4]+ 279.206703 177.8
[M+K]+ 300.136038 163.7
[M+H-H2O]+ 244.170140 155.3
[M+HCOO]- 306.171081 179.7
[M+CH3COO]- 320.186731 195.5
[M+Na-2H]- 282.147546 164.4
[M]+ 261.17233142 159.9
[M]- 261.17342858 159.9
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.