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
1
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]+ 224.05535 143.7
[M+Na]+ 246.03729 152.5
[M-H]- 222.04079 142.8
[M+NH4]+ 241.08189 158.8
[M+K]+ 262.01123 149.0
[M+H-H2O]+ 206.04533 138.0
[M+HCOO]- 268.04627 162.0
[M+CH3COO]- 282.06192 181.5
[M+Na-2H]- 244.02274 145.5
[M]+ 223.04752 143.1
[M]- 223.04862 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.