CID 57361417

2-(5-ethoxypyridin-2-yl)acetic acid hydrochloride

Structural Information

Molecular Formula

C₉H₁₁NO₃

SMILES

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

InChI

InChI=1S/C9H11NO3/c1-2-13-8-4-3-7(10-6-8)5-9(11)12/h3-4,6H,2,5H2,1H3,(H,11,12)

InChIKey

JTAORGBESRGYTR-UHFFFAOYSA-N

Compound name

2-(5-ethoxy-2-pyridinyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 181.0739 Da
Monoisotopic Mass: 0.7
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]+	182.081176	136.8
[M+Na]+	204.063118	144.7
[M-H]-	180.066624	137.9
[M+NH4]+	199.107723	154.8
[M+K]+	220.037058	143.2
[M+H-H2O]+	164.071160	130.4
[M+HCOO]-	226.072101	158.5
[M+CH3COO]-	240.087751	178.5
[M+Na-2H]-	202.048566	142.7
[M]+	181.07335142	138.8
[M]-	181.07444858	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe