CID 54677706

Methyl 4-hydroxy-2-oxo-2,5-dihydrofuran-3-carboxylate

Structural Information

Molecular Formula
C6H6O5
SMILES
COC(=O)C1=C(COC1=O)O
InChI
InChI=1S/C6H6O5/c1-10-5(8)4-3(7)2-11-6(4)9/h7H,2H2,1H3
InChIKey
GIWLDPURHIORDX-UHFFFAOYSA-N
Compound name
methyl 3-hydroxy-5-oxo-2H-furan-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

158.02153 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.02881 125.9
[M+Na]+ 181.01075 135.0
[M-H]- 157.01425 129.5
[M+NH4]+ 176.05535 146.7
[M+K]+ 196.98469 136.0
[M+H-H2O]+ 141.01879 121.6
[M+HCOO]- 203.01973 148.7
[M+CH3COO]- 217.03538 171.1
[M+Na-2H]- 178.99620 130.7
[M]+ 158.02098 128.6
[M]- 158.02208 128.6
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

No patent data available for this compound.