CID 75480621

2-bromo-n-methyl-3-phenylpropanamide

Structural Information

Molecular Formula

C₁₀H₁₂BrNO

SMILES

CNC(=O)C(CC1=CC=CC=C1)Br

InChI

InChI=1S/C10H12BrNO/c1-12-10(13)9(11)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,12,13)

InChIKey

GJWKSNUMCGDMIC-UHFFFAOYSA-N

Compound name

2-bromo-N-methyl-3-phenylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 241.01022 Da
Monoisotopic Mass: 2.3
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]+	242.017496	146.9
[M+Na]+	263.999438	155.9
[M-H]-	240.002944	152.7
[M+NH4]+	259.044043	167.4
[M+K]+	279.973378	145.1
[M+H-H2O]+	224.007480	146.1
[M+HCOO]-	286.008421	167.9
[M+CH3COO]-	300.024071	191.3
[M+Na-2H]-	261.984886	153.1
[M]+	241.00967142	164.3
[M]-	241.01076858	164.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.