CID 249990

6-(hydroxymethyl)pyridine-3,4-diol

Structural Information

Molecular Formula
C6H7NO3
SMILES
C1=C(NC=C(C1=O)O)CO
InChI
InChI=1S/C6H7NO3/c8-3-4-1-5(9)6(10)2-7-4/h1-2,8,10H,3H2,(H,7,9)
InChIKey
NZRGARKXMKFZDU-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(hydroxymethyl)-1H-pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

58
Patents

141.04259 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.049866 124.6
[M+Na]+ 164.031808 134.0
[M-H]- 140.035314 123.7
[M+NH4]+ 159.076413 143.2
[M+K]+ 180.005748 130.9
[M+H-H2O]+ 124.039850 119.4
[M+HCOO]- 186.040791 145.1
[M+CH3COO]- 200.056441 164.8
[M+Na-2H]- 162.017256 131.4
[M]+ 141.04204142 122.7
[M]- 141.04313858 122.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe