CID 91619863

5-acetyl-2-methylfuran-3-carboxylic acid

Structural Information

Molecular Formula
C8H8O4
SMILES
CC1=C(C=C(O1)C(=O)C)C(=O)O
InChI
InChI=1S/C8H8O4/c1-4(9)7-3-6(8(10)11)5(2)12-7/h3H,1-2H3,(H,10,11)
InChIKey
LIKOFZUZYLUNET-UHFFFAOYSA-N
Compound name
5-acetyl-2-methylfuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.04225 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04953 132.9
[M+Na]+ 191.03147 143.1
[M+NH4]+ 186.07607 139.4
[M+K]+ 207.00541 142.1
[M-H]- 167.03497 133.3
[M+Na-2H]- 189.01692 135.6
[M]+ 168.04170 134.1
[M]- 168.04280 134.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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No patent data available for this compound.