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-bromo-2-pyridinyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
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]+	228.997096	139.0
[M+Na]+	250.979038	150.0
[M-H]-	226.982544	144.1
[M+NH4]+	246.023643	159.2
[M+K]+	266.952978	139.2
[M+H-H2O]+	210.987080	138.0
[M+HCOO]-	272.988021	160.5
[M+CH3COO]-	287.003671	188.3
[M+Na-2H]-	248.964486	147.2
[M]+	227.98927142	157.3
[M]-	227.99036858	157.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe