CID 45489866

Methyl 6-chloro-4-methoxypicolinate

Structural Information

Molecular Formula

C₈H₈ClNO₃

SMILES

COC1=CC(=NC(=C1)Cl)C(=O)OC

InChI

InChI=1S/C8H8ClNO3/c1-12-5-3-6(8(11)13-2)10-7(9)4-5/h3-4H,1-2H3

InChIKey

PCBQMUWCNOOYDT-UHFFFAOYSA-N

Compound name

methyl 6-chloro-4-methoxypyridine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
Patents: 201.01927 Da
Monoisotopic Mass: 2.0
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]+	202.02655	137.2
[M+Na]+	224.00849	151.0
[M+NH4]+	219.05309	144.9
[M+K]+	239.98243	145.3
[M-H]-	200.01199	137.9
[M+Na-2H]-	221.99394	143.7
[M]+	201.01872	139.5
[M]-	201.01982	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe