CID 64208934

3-bromo-1-(3-methylphenyl)piperidin-2-one

Structural Information

Molecular Formula

C₁₂H₁₄BrNO

SMILES

CC1=CC(=CC=C1)N2CCCC(C2=O)Br

InChI

InChI=1S/C12H14BrNO/c1-9-4-2-5-10(8-9)14-7-3-6-11(13)12(14)15/h2,4-5,8,11H,3,6-7H2,1H3

InChIKey

COZMGTIIQARTMF-UHFFFAOYSA-N

Compound name

3-bromo-1-(3-methylphenyl)piperidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 267.02588 Da
Monoisotopic Mass: 3.0
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]+	268.033156	151.9
[M+Na]+	290.015098	162.3
[M-H]-	266.018604	159.5
[M+NH4]+	285.059703	170.9
[M+K]+	305.989038	150.9
[M+H-H2O]+	250.023140	151.0
[M+HCOO]-	312.024081	169.5
[M+CH3COO]-	326.039731	194.0
[M+Na-2H]-	288.000546	156.9
[M]+	267.02533142	167.3
[M]-	267.02642858	167.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.