CID 15179563

142404-82-8

Structural Information

Molecular Formula

C₈H₉BrN₂O

SMILES

CC1=CC(=NC=C1Br)NC(=O)C

InChI

InChI=1S/C8H9BrN2O/c1-5-3-8(11-6(2)12)10-4-7(5)9/h3-4H,1-2H3,(H,10,11,12)

InChIKey

WVJCOPBDWMWUNP-UHFFFAOYSA-N

Compound name

N-(5-bromo-4-methylpyridin-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 227.98982 Da
Monoisotopic Mass: 1.4
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]+	228.99710	139.9
[M+Na]+	250.97904	143.1
[M+NH4]+	246.02364	144.3
[M+K]+	266.95298	143.5
[M-H]-	226.98254	140.3
[M+Na-2H]-	248.96449	143.4
[M]+	227.98927	139.2
[M]-	227.99037	139.2

Literature stripe

literature stripe

Patent stripe

patents stripe