CID 11622335

5-hydroxy-2-methoxypyridine

Structural Information

Molecular Formula

SMILES

COC1=NC=C(C=C1)O

InChI

InChI=1S/C6H7NO2/c1-9-6-3-2-5(8)4-7-6/h2-4,8H,1H3

InChIKey

LKBKDKVMHWPZDB-UHFFFAOYSA-N

Compound name

6-methoxypyridin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 830
Patents: 125.047676 Da
Monoisotopic Mass: 1.4
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]+	126.054952	121.0
[M+Na]+	148.036894	130.2
[M-H]-	124.040400	122.5
[M+NH4]+	143.081499	141.5
[M+K]+	164.010834	129.1
[M+H-H2O]+	108.044936	115.3
[M+HCOO]-	170.045877	144.3
[M+CH3COO]-	184.061527	167.4
[M+Na-2H]-	146.022342	129.8
[M]+	125.04712742	121.7
[M]-	125.04822458	121.7

Literature stripe

literature stripe

Patent stripe

patents stripe