CID 3056793

Propiophenone, 3-piperidino-3'-propoxy-, hydrochloride

Structural Information

Molecular Formula
C17H25NO2
SMILES
CCCOC1=CC=CC(=C1)C(=O)CCN2CCCCC2
InChI
InChI=1S/C17H25NO2/c1-2-13-20-16-8-6-7-15(14-16)17(19)9-12-18-10-4-3-5-11-18/h6-8,14H,2-5,9-13H2,1H3
InChIKey
YIBLAKUXWCZPPC-UHFFFAOYSA-N
Compound name
3-piperidin-1-yl-1-(3-propoxyphenyl)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 167.9
[M+Na]+ 298.177758 170.8
[M-H]- 274.181264 171.4
[M+NH4]+ 293.222363 182.0
[M+K]+ 314.151698 167.6
[M+H-H2O]+ 258.185800 158.8
[M+HCOO]- 320.186741 185.1
[M+CH3COO]- 334.202391 199.8
[M+Na-2H]- 296.163206 169.3
[M]+ 275.18799142 166.0
[M]- 275.18908858 166.0
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.