CID 15200704

5-(ethoxycarbonyl)furan-2-carboxylic acid

Structural Information

Molecular Formula
C8H8O5
SMILES
CCOC(=O)C1=CC=C(O1)C(=O)O
InChI
InChI=1S/C8H8O5/c1-2-12-8(11)6-4-3-5(13-6)7(9)10/h3-4H,2H2,1H3,(H,9,10)
InChIKey
SMMNUDQGZVFDTO-UHFFFAOYSA-N
Compound name
5-ethoxycarbonylfuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

228
Patents

184.03717 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.044446 134.9
[M+Na]+ 207.026388 143.0
[M-H]- 183.029894 138.3
[M+NH4]+ 202.070993 154.4
[M+K]+ 223.000328 143.9
[M+H-H2O]+ 167.034430 130.0
[M+HCOO]- 229.035371 157.6
[M+CH3COO]- 243.051021 176.5
[M+Na-2H]- 205.011836 138.9
[M]+ 184.03662142 138.7
[M]- 184.03771858 138.7
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