CID 98259

Tetrahydro-5-oxofuran-2,3-dicarboxylic acid

Structural Information

Molecular Formula
C6H6O6
SMILES
C1C(C(OC1=O)C(=O)O)C(=O)O
InChI
InChI=1S/C6H6O6/c7-3-1-2(5(8)9)4(12-3)6(10)11/h2,4H,1H2,(H,8,9)(H,10,11)
InChIKey
UKZDIMBDWHZXOK-UHFFFAOYSA-N
Compound name
5-oxooxolane-2,3-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

182
Patents

174.01643 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.02371 129.7
[M+Na]+ 197.00565 137.1
[M-H]- 173.00915 131.6
[M+NH4]+ 192.05025 148.7
[M+K]+ 212.97959 137.8
[M+H-H2O]+ 157.01369 125.6
[M+HCOO]- 219.01463 148.9
[M+CH3COO]- 233.03028 172.2
[M+Na-2H]- 194.99110 132.0
[M]+ 174.01588 129.3
[M]- 174.01698 129.3
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