CID 71436380

24891-71-2

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

40
Patents

158.02153 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.02881 125.1
[M+Na]+ 181.01075 134.6
[M-H]- 157.01425 127.7
[M+NH4]+ 176.05535 147.2
[M+K]+ 196.98469 134.9
[M+H-H2O]+ 141.01879 122.2
[M+HCOO]- 203.01973 146.4
[M+CH3COO]- 217.03538 168.9
[M+Na-2H]- 178.99620 130.9
[M]+ 158.02098 126.4
[M]- 158.02208 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