CID 209947

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

Structural Information

Molecular Formula
C16H22BrNO2
SMILES
CCC(=O)C1=C(C=CC(=C1)Br)OCCN2CCCCC2
InChI
InChI=1S/C16H22BrNO2/c1-2-15(19)14-12-13(17)6-7-16(14)20-11-10-18-8-4-3-5-9-18/h6-7,12H,2-5,8-11H2,1H3
InChIKey
UOYUPQATWTYNJC-UHFFFAOYSA-N
Compound name
1-[5-bromo-2-(2-piperidin-1-ylethoxy)phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.0834 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.09068 171.5
[M+Na]+ 362.07262 173.9
[M+NH4]+ 357.11722 175.4
[M+K]+ 378.04656 172.8
[M-H]- 338.07612 172.9
[M+Na-2H]- 360.05807 174.1
[M]+ 339.08285 170.9
[M]- 339.08395 170.9
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.