CID 15067093

894802-20-1

Structural Information

Molecular Formula

C₉H₁₁NO₄

SMILES

COCCOC1=NC=C(C=C1)C(=O)O

InChI

InChI=1S/C9H11NO4/c1-13-4-5-14-8-3-2-7(6-10-8)9(11)12/h2-3,6H,4-5H2,1H3,(H,11,12)

InChIKey

WZTUGPZSOYQWBL-UHFFFAOYSA-N

Compound name

6-(2-methoxyethoxy)pyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 197.0688 Da
Monoisotopic Mass: 0.5
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]+	198.07608	140.7
[M+Na]+	220.05802	152.1
[M+NH4]+	215.10262	147.0
[M+K]+	236.03196	147.6
[M-H]-	196.06152	140.3
[M+Na-2H]-	218.04347	145.9
[M]+	197.06825	141.9
[M]-	197.06935	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe