CID 79170

5289-93-0

Structural Information

Molecular Formula
C20H31NO2
SMILES
CCCCCCOC1=CC=C(C=C1)C(=O)CCN2CCCCC2
InChI
InChI=1S/C20H31NO2/c1-2-3-4-8-17-23-19-11-9-18(10-12-19)20(22)13-16-21-14-6-5-7-15-21/h9-12H,2-8,13-17H2,1H3
InChIKey
WXYWMSOSIIBMMM-UHFFFAOYSA-N
Compound name
1-(4-hexoxyphenyl)-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

22
Patents

317.23547 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.242746 181.3
[M+Na]+ 340.224688 182.9
[M-H]- 316.228194 184.2
[M+NH4]+ 335.269293 193.7
[M+K]+ 356.198628 179.0
[M+H-H2O]+ 300.232730 171.7
[M+HCOO]- 362.233671 197.6
[M+CH3COO]- 376.249321 208.8
[M+Na-2H]- 338.210136 181.2
[M]+ 317.23492142 180.5
[M]- 317.23601858 180.5
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