CID 71436380

2,5-dihydro-4-hydroxy-2-methyl-5-oxo-2-furancarboxylic acid

Structural Information

Molecular Formula
C6H6O5
SMILES
CC1(C=C(C(=O)O1)O)C(=O)O
InChI
InChI=1S/C6H6O5/c1-6(5(9)10)2-3(7)4(8)11-6/h2,7H,1H3,(H,9,10)
InChIKey
FMOWGHRAYUFXIG-UHFFFAOYSA-N
Compound name
4-hydroxy-2-methyl-5-oxofuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

158.02153 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.028806 125.1
[M+Na]+ 181.010748 134.6
[M-H]- 157.014254 127.7
[M+NH4]+ 176.055353 147.2
[M+K]+ 196.984688 134.9
[M+H-H2O]+ 141.018790 122.2
[M+HCOO]- 203.019731 146.4
[M+CH3COO]- 217.035381 168.9
[M+Na-2H]- 178.996196 130.9
[M]+ 158.02098142 126.4
[M]- 158.02207858 126.4
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

patents stripe