CID 114250

Propiophenone, 4'-ethoxy-3-piperidino-, hydrochloride

Structural Information

Molecular Formula
C16H23NO2
SMILES
CCOC1=CC=C(C=C1)C(=O)CCN2CCCCC2
InChI
InChI=1S/C16H23NO2/c1-2-19-15-8-6-14(7-9-15)16(18)10-13-17-11-4-3-5-12-17/h6-9H,2-5,10-13H2,1H3
InChIKey
RLOBNPKHXIVGBC-UHFFFAOYSA-N
Compound name
1-(4-ethoxyphenyl)-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

8
Patents

261.17288 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.18016 163.3
[M+Na]+ 284.16210 166.7
[M-H]- 260.16560 167.1
[M+NH4]+ 279.20670 178.0
[M+K]+ 300.13604 163.8
[M+H-H2O]+ 244.17014 154.5
[M+HCOO]- 306.17108 181.0
[M+CH3COO]- 320.18673 196.9
[M+Na-2H]- 282.14755 165.4
[M]+ 261.17233 161.2
[M]- 261.17343 161.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe