CID 11435181

5-(methoxycarbonyl)furan-2-carboxylic acid

Structural Information

Molecular Formula
C7H6O5
SMILES
COC(=O)C1=CC=C(O1)C(=O)O
InChI
InChI=1S/C7H6O5/c1-11-7(10)5-3-2-4(12-5)6(8)9/h2-3H,1H3,(H,8,9)
InChIKey
AETGYSUEDWYSME-UHFFFAOYSA-N
Compound name
5-methoxycarbonylfuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

261
Patents

170.02153 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.02881 132.0
[M+Na]+ 193.01075 141.5
[M+NH4]+ 188.05535 138.0
[M+K]+ 208.98469 141.1
[M-H]- 169.01425 131.8
[M+Na-2H]- 190.99620 134.7
[M]+ 170.02098 132.8
[M]- 170.02208 132.8
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