CID 71436380

Zymonic 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

38
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 128.3
[M+Na]+ 181.01075 137.4
[M+NH4]+ 176.05535 135.6
[M+K]+ 196.98469 135.5
[M-H]- 157.01425 127.7
[M+Na-2H]- 178.99620 131.7
[M]+ 158.02098 129.1
[M]- 158.02208 129.1
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