CID 135527506

3-methyl-5-hydroxy-6-(3-carboxy-3-oxopropenyl)-1h-2-pyridon

Structural Information

Molecular Formula
C10H9NO5
SMILES
CC1=CC(=C(NC1=O)/C=C/C(=O)C(=O)O)O
InChI
InChI=1S/C10H9NO5/c1-5-4-8(13)6(11-9(5)14)2-3-7(12)10(15)16/h2-4,13H,1H3,(H,11,14)(H,15,16)/b3-2+
InChIKey
KZKAPBFJJOTREP-NSCUHMNNSA-N
Compound name
(E)-4-(3-hydroxy-5-methyl-6-oxo-1H-pyridin-2-yl)-2-oxobut-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

223.04807 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.055346 143.7
[M+Na]+ 246.037288 152.5
[M-H]- 222.040794 142.8
[M+NH4]+ 241.081893 158.8
[M+K]+ 262.011228 149.0
[M+H-H2O]+ 206.045330 138.0
[M+HCOO]- 268.046271 162.0
[M+CH3COO]- 282.061921 181.5
[M+Na-2H]- 244.022736 145.5
[M]+ 223.04752142 143.1
[M]- 223.04861858 143.1
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

No patent data available for this compound.