CID 67073822

N-(4-bromopyridin-2-yl)propanamide

Structural Information

Molecular Formula

C₈H₉BrN₂O

SMILES

CCC(=O)NC1=NC=CC(=C1)Br

InChI

InChI=1S/C8H9BrN2O/c1-2-8(12)11-7-5-6(9)3-4-10-7/h3-5H,2H2,1H3,(H,10,11,12)

InChIKey

LSDZPKRYASYGBG-UHFFFAOYSA-N

Compound name

N-(4-bromopyridin-2-yl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 227.98982 Da
Monoisotopic Mass: 1.5
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	140.3
[M+Na]+	250.97904	143.1
[M+NH4]+	246.02364	144.6
[M+K]+	266.95298	143.4
[M-H]-	226.98254	140.6
[M+Na-2H]-	248.96449	144.0
[M]+	227.98927	139.5
[M]-	227.99037	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe