CID 70678643

2-oxo-3-(5-oxofuran-2-ylidene)propanoate

Structural Information

Molecular Formula
C7H4O5
SMILES
C\1=CC(=O)O/C1=C\C(=O)C(=O)O
InChI
InChI=1S/C7H4O5/c8-5(7(10)11)3-4-1-2-6(9)12-4/h1-3H,(H,10,11)/b4-3-
InChIKey
DDHFXYAKWRQJJH-ARJAWSKDSA-N
Compound name
(3Z)-2-oxo-3-(5-oxofuran-2-ylidene)propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

168.00587 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.01315 129.2
[M+Na]+ 190.99509 137.3
[M-H]- 166.99859 132.4
[M+NH4]+ 186.03969 149.1
[M+K]+ 206.96903 137.3
[M+H-H2O]+ 151.00313 124.7
[M+HCOO]- 213.00407 151.1
[M+CH3COO]- 227.01972 172.2
[M+Na-2H]- 188.98054 132.9
[M]+ 168.00532 129.8
[M]- 168.00642 129.8
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.