CID 13672729

Ethyl 2-hydroxy-2-(pyridin-3-yl)acetate hydrochloride

Structural Information

Molecular Formula

C₉H₁₁NO₃

SMILES

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

InChI

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

InChIKey

RPUXFKPRBIMWLC-UHFFFAOYSA-N

Compound name

ethyl 2-hydroxy-2-pyridin-3-ylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 181.0739 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]+	182.08118	137.7
[M+Na]+	204.06312	144.4
[M-H]-	180.06662	138.6
[M+NH4]+	199.10772	155.4
[M+K]+	220.03706	143.5
[M+H-H2O]+	164.07116	131.1
[M+HCOO]-	226.07210	158.4
[M+CH3COO]-	240.08775	177.5
[M+Na-2H]-	202.04857	143.0
[M]+	181.07335	138.5
[M]-	181.07445	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe