CID 11288812

Bk-2c-b compound

Structural Information

Molecular Formula

C₁₀H₁₂BrNO₃

SMILES

COC1=CC(=C(C=C1C(=O)CN)OC)Br

InChI

InChI=1S/C10H12BrNO3/c1-14-9-4-7(11)10(15-2)3-6(9)8(13)5-12/h3-4H,5,12H2,1-2H3

InChIKey

HFYJGAIOBIDRPX-UHFFFAOYSA-N

Compound name

2-amino-1-(4-bromo-2,5-dimethoxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 56
Patents: 273.00006 Da
Monoisotopic Mass: 1.3
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]+	274.007336	150.2
[M+Na]+	295.989278	161.6
[M-H]-	271.992784	156.3
[M+NH4]+	291.033883	169.9
[M+K]+	311.963218	151.1
[M+H-H2O]+	255.997320	149.2
[M+HCOO]-	317.998261	171.8
[M+CH3COO]-	332.013911	197.7
[M+Na-2H]-	293.974726	154.7
[M]+	272.99951142	170.9
[M]-	273.00060858	170.9

Literature stripe

literature stripe

Patent stripe

patents stripe