CID 9899037

179555-07-8

Structural Information

Molecular Formula

C₇H₇ClN₂O₂

SMILES

COC(=O)C1=NC(=CC(=C1)Cl)N

InChI

InChI=1S/C7H7ClN2O2/c1-12-7(11)5-2-4(8)3-6(9)10-5/h2-3H,1H3,(H2,9,10)

InChIKey

GSECHTJAODUARZ-UHFFFAOYSA-N

Compound name

methyl 6-amino-4-chloropyridine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 186.0196 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]+	187.026876	134.4
[M+Na]+	209.008818	144.5
[M-H]-	185.012324	136.9
[M+NH4]+	204.053423	153.6
[M+K]+	224.982758	141.5
[M+H-H2O]+	169.016860	129.0
[M+HCOO]-	231.017801	153.9
[M+CH3COO]-	245.033451	181.6
[M+Na-2H]-	206.994266	139.9
[M]+	186.01905142	136.5
[M]-	186.02014858	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe