CID 53393170

Ethyl 6-ethoxypicolinate

Structural Information

Molecular Formula

C₁₀H₁₃NO₃

SMILES

CCOC1=CC=CC(=N1)C(=O)OCC

InChI

InChI=1S/C10H13NO3/c1-3-13-9-7-5-6-8(11-9)10(12)14-4-2/h5-7H,3-4H2,1-2H3

InChIKey

LEKWWVNHYUXVAW-UHFFFAOYSA-N

Compound name

ethyl 6-ethoxypyridine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 63
Patents: 195.08954 Da
Monoisotopic Mass: 2.1
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]+	196.096816	140.9
[M+Na]+	218.078758	148.9
[M-H]-	194.082264	143.3
[M+NH4]+	213.123363	159.2
[M+K]+	234.052698	148.1
[M+H-H2O]+	178.086800	134.1
[M+HCOO]-	240.087741	163.8
[M+CH3COO]-	254.103391	183.4
[M+Na-2H]-	216.064206	146.8
[M]+	195.08899142	145.1
[M]-	195.09008858	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe