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]+ 128.034216 121.1
[M+Na]+ 150.016158 129.7
[M-H]- 126.019664 121.1
[M+NH4]+ 145.060763 140.7
[M+K]+ 165.990098 127.6
[M+H-H2O]+ 110.024200 116.0
[M+HCOO]- 172.025141 140.8
[M+CH3COO]- 186.040791 164.0
[M+Na-2H]- 148.001606 127.1
[M]+ 127.02639142 117.2
[M]- 127.02748858 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