CID 419490

5-hydroxy-2-hydroxymethylpyridine

Structural Information

Molecular Formula

SMILES

C1=CC(=NC=C1O)CO

InChI

InChI=1S/C6H7NO2/c8-4-5-1-2-6(9)3-7-5/h1-3,8-9H,4H2

InChIKey

NESFDGDRYVANBC-UHFFFAOYSA-N

Compound name

6-(hydroxymethyl)pyridin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 312
Patents: 125.047676 Da
Monoisotopic Mass: -0.4
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	121.9
[M+Na]+	148.036894	130.6
[M-H]-	124.040400	122.0
[M+NH4]+	143.081499	141.6
[M+K]+	164.010834	128.6
[M+H-H2O]+	108.044936	116.4
[M+HCOO]-	170.045877	143.6
[M+CH3COO]-	184.061527	164.7
[M+Na-2H]-	146.022342	130.1
[M]+	125.04712742	120.7
[M]-	125.04822458	120.7

Literature stripe

literature stripe

Patent stripe

patents stripe