CID 56972524

4-hydroxy-1,2,3,6-tetrahydropyridine-2,6-dione

Structural Information

Molecular Formula
C5H5NO3
SMILES
C1C(=CC(=O)NC1=O)O
InChI
InChI=1S/C5H5NO3/c7-3-1-4(8)6-5(9)2-3/h1,7H,2H2,(H,6,8,9)
InChIKey
SPZAZMMMNDNGHD-UHFFFAOYSA-N
Compound name
4-hydroxy-3H-pyridine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

127.02694 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.03422 121.1
[M+Na]+ 150.01616 129.7
[M-H]- 126.01966 121.1
[M+NH4]+ 145.06076 140.7
[M+K]+ 165.99010 127.6
[M+H-H2O]+ 110.02420 116.0
[M+HCOO]- 172.02514 140.8
[M+CH3COO]- 186.04079 164.0
[M+Na-2H]- 148.00161 127.1
[M]+ 127.02639 117.2
[M]- 127.02749 117.2
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