CID 510785

Benzenebutanoic acid, 3,5-dihydroxy-a,g-dioxo-

Structural Information

Molecular Formula
C10H8O6
SMILES
C1=C(C=C(C=C1O)O)C(=O)CC(=O)C(=O)O
InChI
InChI=1S/C10H8O6/c11-6-1-5(2-7(12)3-6)8(13)4-9(14)10(15)16/h1-3,11-12H,4H2,(H,15,16)
InChIKey
KTJJKEVNCWHBKU-UHFFFAOYSA-N
Compound name
4-(3,5-dihydroxyphenyl)-2,4-dioxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.03209 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.039366 142.8
[M+Na]+ 247.021308 149.9
[M-H]- 223.024814 142.9
[M+NH4]+ 242.065913 158.6
[M+K]+ 262.995248 148.3
[M+H-H2O]+ 207.029350 137.5
[M+HCOO]- 269.030291 161.4
[M+CH3COO]- 283.045941 182.1
[M+Na-2H]- 245.006756 144.1
[M]+ 224.03154142 142.9
[M]- 224.03263858 142.9
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.