CID 55267988

Methyl 6-(2-hydroxyethyl)nicotinate

Structural Information

Molecular Formula

C₉H₁₁NO₃

SMILES

COC(=O)C1=CN=C(C=C1)CCO

InChI

InChI=1S/C9H11NO3/c1-13-9(12)7-2-3-8(4-5-11)10-6-7/h2-3,6,11H,4-5H2,1H3

InChIKey

DWNSMSJAICRYNF-UHFFFAOYSA-N

Compound name

methyl 6-(2-hydroxyethyl)pyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 181.0739 Da
Monoisotopic Mass: 0.3
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	137.9
[M+Na]+	204.06312	149.7
[M+NH4]+	199.10772	144.8
[M+K]+	220.03706	144.7
[M-H]-	180.06662	137.9
[M+Na-2H]-	202.04857	143.5
[M]+	181.07335	139.3
[M]-	181.07445	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe