CID 115936

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

Structural Information

Molecular Formula
C17H25NO2
SMILES
CC(C)OC1=CC=C(C=C1)C(=O)CCN2CCCCC2
InChI
InChI=1S/C17H25NO2/c1-14(2)20-16-8-6-15(7-9-16)17(19)10-13-18-11-4-3-5-12-18/h6-9,14H,3-5,10-13H2,1-2H3
InChIKey
ZHTPWMDZZZQREU-UHFFFAOYSA-N
Compound name
3-piperidin-1-yl-1-(4-propan-2-yloxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

8
Patents

275.18854 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.195816 167.8
[M+Na]+ 298.177758 170.5
[M-H]- 274.181264 171.4
[M+NH4]+ 293.222363 181.8
[M+K]+ 314.151698 167.9
[M+H-H2O]+ 258.185800 159.0
[M+HCOO]- 320.186741 184.1
[M+CH3COO]- 334.202391 200.7
[M+Na-2H]- 296.163206 168.1
[M]+ 275.18799142 165.4
[M]- 275.18908858 165.4
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