CID 55212082

4-(methoxycarbonyl)-5-methylfuran-2-carboxylic acid

Structural Information

Molecular Formula
C8H8O5
SMILES
CC1=C(C=C(O1)C(=O)O)C(=O)OC
InChI
InChI=1S/C8H8O5/c1-4-5(8(11)12-2)3-6(13-4)7(9)10/h3H,1-2H3,(H,9,10)
InChIKey
HAVOWLIYILWFRJ-UHFFFAOYSA-N
Compound name
4-methoxycarbonyl-5-methylfuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.03717 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.044446 133.9
[M+Na]+ 207.026388 142.9
[M-H]- 183.029894 137.7
[M+NH4]+ 202.070993 153.7
[M+K]+ 223.000328 143.8
[M+H-H2O]+ 167.034430 129.3
[M+HCOO]- 229.035371 156.6
[M+CH3COO]- 243.051021 177.7
[M+Na-2H]- 205.011836 137.3
[M]+ 184.03662142 138.1
[M]- 184.03771858 138.1
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.