CID 137951440

Ethyl 2-(6-chloro-5-methylpyridin-3-yl)-2-oxoacetate

Structural Information

Molecular Formula

C₁₀H₁₀ClNO₃

SMILES

CCOC(=O)C(=O)C1=CN=C(C(=C1)C)Cl

InChI

InChI=1S/C10H10ClNO3/c1-3-15-10(14)8(13)7-4-6(2)9(11)12-5-7/h4-5H,3H2,1-2H3

InChIKey

RKSLWAHJLFLJPY-UHFFFAOYSA-N

Compound name

ethyl 2-(6-chloro-5-methyl-3-pyridinyl)-2-oxoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 227.03493 Da
Monoisotopic Mass: 2.3
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]+	228.042206	143.5
[M+Na]+	250.024148	153.1
[M-H]-	226.027654	146.3
[M+NH4]+	245.068753	161.5
[M+K]+	265.998088	150.3
[M+H-H2O]+	210.032190	137.9
[M+HCOO]-	272.033131	161.0
[M+CH3COO]-	286.048781	188.4
[M+Na-2H]-	248.009596	147.2
[M]+	227.03438142	148.7
[M]-	227.03547858	148.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.