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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	340.090676	173.5
[M+Na]+	362.072618	180.8
[M-H]-	338.076124	179.9
[M+NH4]+	357.117223	189.2
[M+K]+	378.046558	169.5
[M+H-H2O]+	322.080660	171.4
[M+HCOO]-	384.081601	188.9
[M+CH3COO]-	398.097251	206.8
[M+Na-2H]-	360.058066	175.9
[M]+	339.08285142	190.5
[M]-	339.08394858	190.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.