CID 88940192

1806864-53-8

Structural Information

Molecular Formula

C₇H₆Cl₂N₂O₂

SMILES

COC(=O)C1=C(N=C(C=C1N)Cl)Cl

InChI

InChI=1S/C7H6Cl2N2O2/c1-13-7(12)5-3(10)2-4(8)11-6(5)9/h2H,1H3,(H2,10,11)

InChIKey

MIFISBCVMRCXAA-UHFFFAOYSA-N

Compound name

methyl 4-amino-2,6-dichloropyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 219.98064 Da
Monoisotopic Mass: 2.5
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]+	220.987916	139.6
[M+Na]+	242.969858	150.8
[M-H]-	218.973364	141.7
[M+NH4]+	238.014463	158.0
[M+K]+	258.943798	146.5
[M+H-H2O]+	202.977900	135.1
[M+HCOO]-	264.978841	153.9
[M+CH3COO]-	278.994491	187.5
[M+Na-2H]-	240.955306	143.6
[M]+	219.98009142	143.0
[M]-	219.98118858	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe