CID 53217916

Methyl 3-(3-hydroxypyridin-2-yl)benzoate hydrochloride

Structural Information

Molecular Formula

C₁₃H₁₁NO₃

SMILES

COC(=O)C1=CC=CC(=C1)C2=C(C=CC=N2)O

InChI

InChI=1S/C13H11NO3/c1-17-13(16)10-5-2-4-9(8-10)12-11(15)6-3-7-14-12/h2-8,15H,1H3

InChIKey

FRKYLTKWTOKMAF-UHFFFAOYSA-N

Compound name

methyl 3-(3-hydroxy-2-pyridinyl)benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 229.0739 Da
Monoisotopic Mass: 2.0
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]+	230.081176	148.7
[M+Na]+	252.063118	157.1
[M-H]-	228.066624	153.3
[M+NH4]+	247.107723	164.6
[M+K]+	268.037058	154.0
[M+H-H2O]+	212.071160	140.9
[M+HCOO]-	274.072101	170.5
[M+CH3COO]-	288.087751	186.9
[M+Na-2H]-	250.048566	154.3
[M]+	229.07335142	149.7
[M]-	229.07444858	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe