CID 142408

40108-12-1

Structural Information

Molecular Formula

C₁₀H₉ClN₂O₂

SMILES

CCOC(=O)C1=C(C(=NC(=C1)C)Cl)C#N

InChI

InChI=1S/C10H9ClN2O2/c1-3-15-10(14)7-4-6(2)13-9(11)8(7)5-12/h4H,3H2,1-2H3

InChIKey

XUXBHWPRQGVLRY-UHFFFAOYSA-N

Compound name

ethyl 2-chloro-3-cyano-6-methylpyridine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 224.03525 Da
Monoisotopic Mass: 2.2
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]+	225.04253	142.8
[M+Na]+	247.02447	155.9
[M+NH4]+	242.06907	146.9
[M+K]+	262.99841	146.9
[M-H]-	223.02797	136.6
[M+Na-2H]-	245.00992	146.3
[M]+	224.03470	142.3
[M]-	224.03580	142.3

Literature stripe

literature stripe

Patent stripe

patents stripe