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

233
Patents

184.03717 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.04445 134.9
[M+Na]+ 207.02639 143.0
[M-H]- 183.02989 138.3
[M+NH4]+ 202.07099 154.4
[M+K]+ 223.00033 143.9
[M+H-H2O]+ 167.03443 130.0
[M+HCOO]- 229.03537 157.6
[M+CH3COO]- 243.05102 176.5
[M+Na-2H]- 205.01184 138.9
[M]+ 184.03662 138.7
[M]- 184.03772 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