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

1
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

patents stripe