CID 4763754

18342-98-8

Structural Information

Molecular Formula

C₉H₁₁NO₃

SMILES

CCOC(=O)COC1=CN=CC=C1

InChI

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

InChIKey

XNRUOZBZALSKNK-UHFFFAOYSA-N

Compound name

ethyl 2-pyridin-3-yloxyacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 101
Patents: 181.0739 Da
Monoisotopic Mass: 1.1
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]+	182.08118	136.9
[M+Na]+	204.06312	144.3
[M-H]-	180.06662	139.0
[M+NH4]+	199.10772	155.3
[M+K]+	220.03706	143.7
[M+H-H2O]+	164.07116	129.9
[M+HCOO]-	226.07210	160.1
[M+CH3COO]-	240.08775	179.3
[M+Na-2H]-	202.04857	143.9
[M]+	181.07335	140.2
[M]-	181.07445	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe