CID 135476774

5-(3-carboxylato-3-oxoprop-1-en-1-yl)-4,6-dihydroxypyridine-2-carboxylate

Structural Information

Molecular Formula
C10H7NO7
SMILES
C1=C(NC(=O)C(=C1O)/C=C/C(=O)C(=O)O)C(=O)O
InChI
InChI=1S/C10H7NO7/c12-6(10(17)18)2-1-4-7(13)3-5(9(15)16)11-8(4)14/h1-3H,(H,15,16)(H,17,18)(H2,11,13,14)/b2-1+
InChIKey
ATWKTZAAIUROID-OWOJBTEDSA-N
Compound name
5-[(E)-3-carboxy-3-oxoprop-1-enyl]-4-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.02225 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.02953 147.6
[M+Na]+ 276.01147 155.4
[M-H]- 252.01497 145.2
[M+NH4]+ 271.05607 160.2
[M+K]+ 291.98541 152.5
[M+H-H2O]+ 236.01951 141.6
[M+HCOO]- 298.02045 163.8
[M+CH3COO]- 312.03610 184.3
[M+Na-2H]- 273.99692 147.9
[M]+ 253.02170 146.6
[M]- 253.02280 146.6
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.