CID 71721279

1823882-81-0

Structural Information

Molecular Formula

C₇H₇BrN₂O

SMILES

CC1=CN=C(C=C1Br)C(=O)N

InChI

InChI=1S/C7H7BrN2O/c1-4-3-10-6(7(9)11)2-5(4)8/h2-3H,1H3,(H2,9,11)

InChIKey

DTUMWDDNPOHYPV-UHFFFAOYSA-N

Compound name

4-bromo-5-methylpyridine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 213.97418 Da
Monoisotopic Mass: 1.1
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]+	214.981456	134.7
[M+Na]+	236.963398	146.9
[M-H]-	212.966904	139.8
[M+NH4]+	232.008003	155.4
[M+K]+	252.937338	135.9
[M+H-H2O]+	196.971440	134.1
[M+HCOO]-	258.972381	155.9
[M+CH3COO]-	272.988031	186.6
[M+Na-2H]-	234.948846	141.7
[M]+	213.97363142	152.1
[M]-	213.97472858	152.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.