CID 79793810

5-[2-(dimethylamino)ethoxy]pyridine-2-carboxylic acid dihydrochloride

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₃

SMILES

CN(C)CCOC1=CN=C(C=C1)C(=O)O

InChI

InChI=1S/C10H14N2O3/c1-12(2)5-6-15-8-3-4-9(10(13)14)11-7-8/h3-4,7H,5-6H2,1-2H3,(H,13,14)

InChIKey

KTMMTLUYZCFKOU-UHFFFAOYSA-N

Compound name

5-[2-(dimethylamino)ethoxy]pyridine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 210.10045 Da
Monoisotopic Mass: -1.6
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]+	211.107726	145.2
[M+Na]+	233.089668	151.9
[M-H]-	209.093174	147.6
[M+NH4]+	228.134273	162.3
[M+K]+	249.063608	151.5
[M+H-H2O]+	193.097710	137.9
[M+HCOO]-	255.098651	168.1
[M+CH3COO]-	269.114301	189.9
[M+Na-2H]-	231.075116	150.2
[M]+	210.09990142	148.0
[M]-	210.10099858	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.