CID 209951

Propiophenone, 5'-methyl-2'-(2-piperidinoethoxy)-, hydrochloride

Structural Information

Molecular Formula
C17H25NO2
SMILES
CCC(=O)C1=C(C=CC(=C1)C)OCCN2CCCCC2
InChI
InChI=1S/C17H25NO2/c1-3-16(19)15-13-14(2)7-8-17(15)20-12-11-18-9-5-4-6-10-18/h7-8,13H,3-6,9-12H2,1-2H3
InChIKey
SEGJTVLKRKNAMM-UHFFFAOYSA-N
Compound name
1-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.18854 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.195816 167.6
[M+Na]+ 298.177758 171.5
[M-H]- 274.181264 171.5
[M+NH4]+ 293.222363 182.0
[M+K]+ 314.151698 168.4
[M+H-H2O]+ 258.185800 158.8
[M+HCOO]- 320.186741 184.9
[M+CH3COO]- 334.202391 201.0
[M+Na-2H]- 296.163206 168.4
[M]+ 275.18799142 166.2
[M]- 275.18908858 166.2
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.