CID 45789787

Methyl 5-bromo-3-methylpicolinate

Structural Information

Molecular Formula

C₈H₈BrNO₂

SMILES

CC1=CC(=CN=C1C(=O)OC)Br

InChI

InChI=1S/C8H8BrNO2/c1-5-3-6(9)4-10-7(5)8(11)12-2/h3-4H,1-2H3

InChIKey

KZPOANNAYCXMSH-UHFFFAOYSA-N

Compound name

methyl 5-bromo-3-methylpyridine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 182
Patents: 228.97385 Da
Monoisotopic Mass: 2.1
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]+	229.98113	138.2
[M+Na]+	251.96307	142.1
[M+NH4]+	247.00767	142.5
[M+K]+	267.93701	142.7
[M-H]-	227.96657	138.0
[M+Na-2H]-	249.94852	141.7
[M]+	228.97330	137.5
[M]-	228.97440	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe