CID 90449362

2-bromo-n,n-dimethylpyridine-3-carboxamide

Structural Information

Molecular Formula

C₈H₉BrN₂O

SMILES

CN(C)C(=O)C1=C(N=CC=C1)Br

InChI

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

InChIKey

XLLFOYLOXZNGKU-UHFFFAOYSA-N

Compound name

2-bromo-N,N-dimethylpyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 227.98982 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]+	228.99710	137.9
[M+Na]+	250.97904	140.9
[M+NH4]+	246.02364	142.5
[M+K]+	266.95298	141.8
[M-H]-	226.98254	138.5
[M+Na-2H]-	248.96449	142.0
[M]+	227.98927	137.2
[M]-	227.99037	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe