CID 47317646

N-(5-bromo-2-methoxyphenyl)cyclobutanecarboxamide

Structural Information

Molecular Formula

C₁₂H₁₄BrNO₂

SMILES

COC1=C(C=C(C=C1)Br)NC(=O)C2CCC2

InChI

InChI=1S/C12H14BrNO2/c1-16-11-6-5-9(13)7-10(11)14-12(15)8-3-2-4-8/h5-8H,2-4H2,1H3,(H,14,15)

InChIKey

MJIZBNPQJHXRQJ-UHFFFAOYSA-N

Compound name

N-(5-bromo-2-methoxyphenyl)cyclobutanecarboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 283.02078 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]+	284.028056	148.4
[M+Na]+	306.009998	156.4
[M-H]-	282.013504	156.9
[M+NH4]+	301.054603	161.4
[M+K]+	321.983938	149.1
[M+H-H2O]+	266.018040	142.0
[M+HCOO]-	328.018981	168.2
[M+CH3COO]-	342.034631	201.2
[M+Na-2H]-	303.995446	153.5
[M]+	283.02023142	173.8
[M]-	283.02132858	173.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.