CID 58477971

1233520-12-1

Structural Information

Molecular Formula

C₉H₁₀ClNO₃

SMILES

CCOC1=C(C=C(N=C1C(=O)O)C)Cl

InChI

InChI=1S/C9H10ClNO3/c1-3-14-8-6(10)4-5(2)11-7(8)9(12)13/h4H,3H2,1-2H3,(H,12,13)

InChIKey

MVLGLVVCSDHZFA-UHFFFAOYSA-N

Compound name

4-chloro-3-ethoxy-6-methylpyridine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 215.03493 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]+	216.04221	140.4
[M+Na]+	238.02415	150.9
[M-H]-	214.02765	142.2
[M+NH4]+	233.06875	158.6
[M+K]+	253.99809	147.6
[M+H-H2O]+	198.03219	135.4
[M+HCOO]-	260.03313	157.6
[M+CH3COO]-	274.04878	184.7
[M+Na-2H]-	236.00960	144.6
[M]+	215.03438	145.1
[M]-	215.03548	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe