CID 99803492

5-ethyl-4-(methoxycarbonyl)furan-2-carboxylic acid

Structural Information

Molecular Formula
C9H10O5
SMILES
CCC1=C(C=C(O1)C(=O)O)C(=O)OC
InChI
InChI=1S/C9H10O5/c1-3-6-5(9(12)13-2)4-7(14-6)8(10)11/h4H,3H2,1-2H3,(H,10,11)
InChIKey
QOQSZLGLNAOSHU-UHFFFAOYSA-N
Compound name
5-ethyl-4-methoxycarbonylfuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.05283 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.06011 138.7
[M+Na]+ 221.04205 147.3
[M-H]- 197.04555 142.4
[M+NH4]+ 216.08665 158.0
[M+K]+ 237.01599 147.9
[M+H-H2O]+ 181.05009 133.9
[M+HCOO]- 243.05103 161.1
[M+CH3COO]- 257.06668 180.7
[M+Na-2H]- 219.02750 141.6
[M]+ 198.05228 143.3
[M]- 198.05338 143.3
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.