CID 136303007

5,6-dihydroxypyridine-2-carbaldehyde

Structural Information

Molecular Formula
C6H5NO3
SMILES
C1=C(NC(=O)C(=C1)O)C=O
InChI
InChI=1S/C6H5NO3/c8-3-4-1-2-5(9)6(10)7-4/h1-3,9H,(H,7,10)
InChIKey
ZAOFBQFHJYJHHE-UHFFFAOYSA-N
Compound name
5-hydroxy-6-oxo-1H-pyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

139.02695 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.034226 122.3
[M+Na]+ 162.016168 132.5
[M-H]- 138.019674 122.8
[M+NH4]+ 157.060773 141.6
[M+K]+ 177.990108 129.7
[M+H-H2O]+ 122.024210 116.9
[M+HCOO]- 184.025151 144.6
[M+CH3COO]- 198.040801 166.4
[M+Na-2H]- 160.001616 129.7
[M]+ 139.02640142 121.6
[M]- 139.02749858 121.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe