CID 290511

Sodium 5-oxo-2,5-dihydrofuran-3-carboxylate

Structural Information

Molecular Formula
C5H4O4
SMILES
C1C(=CC(=O)O1)C(=O)O
InChI
InChI=1S/C5H4O4/c6-4-1-3(2-9-4)5(7)8/h1H,2H2,(H,7,8)
InChIKey
MBBCUMUIGBKUEC-UHFFFAOYSA-N
Compound name
5-oxo-2H-furan-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

128.01096 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.01824 119.3
[M+Na]+ 151.00018 127.9
[M-H]- 127.00368 122.7
[M+NH4]+ 146.04478 141.0
[M+K]+ 166.97412 128.7
[M+H-H2O]+ 111.00822 115.1
[M+HCOO]- 173.00916 142.3
[M+CH3COO]- 187.02481 165.4
[M+Na-2H]- 148.98563 125.1
[M]+ 128.01041 119.8
[M]- 128.01151 119.8
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