CID 4414641

2-bromo-n-(4-methoxyphenyl)-3-methylbutanamide

Structural Information

Molecular Formula

C₁₂H₁₆BrNO₂

SMILES

CC(C)C(C(=O)NC1=CC=C(C=C1)OC)Br

InChI

InChI=1S/C12H16BrNO2/c1-8(2)11(13)12(15)14-9-4-6-10(16-3)7-5-9/h4-8,11H,1-3H3,(H,14,15)

InChIKey

FHXCLDHAFSJZIZ-UHFFFAOYSA-N

Compound name

2-bromo-N-(4-methoxyphenyl)-3-methylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 285.03644 Da
Monoisotopic Mass: 3.2
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]+	286.043716	158.6
[M+Na]+	308.025658	167.2
[M-H]-	284.029164	164.4
[M+NH4]+	303.070263	177.5
[M+K]+	323.999598	156.9
[M+H-H2O]+	268.033700	157.3
[M+HCOO]-	330.034641	178.1
[M+CH3COO]-	344.050291	200.7
[M+Na-2H]-	306.011106	161.9
[M]+	285.03589142	177.7
[M]-	285.03698858	177.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.