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]+ 185.04445 135.9
[M+Na]+ 207.02639 145.6
[M+NH4]+ 202.07099 141.8
[M+K]+ 223.00033 145.3
[M-H]- 183.02989 135.8
[M+Na-2H]- 205.01184 138.2
[M]+ 184.03662 136.9
[M]- 184.03772 136.9
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.