CID 64210938

3-bromo-1-(4-methoxyphenyl)piperidin-2-one

Structural Information

Molecular Formula

C₁₂H₁₄BrNO₂

SMILES

COC1=CC=C(C=C1)N2CCCC(C2=O)Br

InChI

InChI=1S/C12H14BrNO2/c1-16-10-6-4-9(5-7-10)14-8-2-3-11(13)12(14)15/h4-7,11H,2-3,8H2,1H3

InChIKey

ADDRTFSRBNLONX-UHFFFAOYSA-N

Compound name

3-bromo-1-(4-methoxyphenyl)piperidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 283.02078 Da
Monoisotopic Mass: 2.6
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]+	284.028056	154.6
[M+Na]+	306.009998	164.8
[M-H]-	282.013504	162.2
[M+NH4]+	301.054603	173.0
[M+K]+	321.983938	154.0
[M+H-H2O]+	266.018040	153.5
[M+HCOO]-	328.018981	172.4
[M+CH3COO]-	342.034631	195.9
[M+Na-2H]-	303.995446	159.7
[M]+	283.02023142	171.4
[M]-	283.02132858	171.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.