CID 90657282

3,6-dihydroxypyridine-2,5-dione

Structural Information

Molecular Formula
C5H3NO4
SMILES
C1=C(C(=O)NC(=O)C1=O)O
InChI
InChI=1S/C5H3NO4/c7-2-1-3(8)5(10)6-4(2)9/h1,7H,(H,6,9,10)
InChIKey
PMCYMVXRSAUBSH-UHFFFAOYSA-N
Compound name
5-hydroxypyridine-2,3,6-trione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

141.00621 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.01349 121.8
[M+Na]+ 163.99543 131.5
[M-H]- 139.99893 122.2
[M+NH4]+ 159.04003 141.0
[M+K]+ 179.96937 129.4
[M+H-H2O]+ 124.00347 116.9
[M+HCOO]- 186.00441 141.9
[M+CH3COO]- 200.02006 166.6
[M+Na-2H]- 161.98088 127.3
[M]+ 141.00566 119.1
[M]- 141.00676 119.1
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

No patent data available for this compound.