CID 510839

105356-51-2

Structural Information

Molecular Formula
C8H6O5
SMILES
C1=COC(=C1)C(=O)CC(=O)C(=O)O
InChI
InChI=1S/C8H6O5/c9-5(4-6(10)8(11)12)7-2-1-3-13-7/h1-3H,4H2,(H,11,12)
InChIKey
DQHQTWRAARLYCW-UHFFFAOYSA-N
Compound name
4-(furan-2-yl)-2,4-dioxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

182.02153 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.028806 134.6
[M+Na]+ 205.010748 141.7
[M-H]- 181.014254 137.7
[M+NH4]+ 200.055353 153.6
[M+K]+ 220.984688 142.4
[M+H-H2O]+ 165.018790 129.5
[M+HCOO]- 227.019731 156.5
[M+CH3COO]- 241.035381 176.0
[M+Na-2H]- 202.996196 138.0
[M]+ 182.02098142 136.7
[M]- 182.02207858 136.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe