CID 15422129

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

Structural Information

Molecular Formula
C7H8O4
SMILES
CC1=C(C=C(O1)C(=O)O)CO
InChI
InChI=1S/C7H8O4/c1-4-5(3-8)2-6(11-4)7(9)10/h2,8H,3H2,1H3,(H,9,10)
InChIKey
KCRPFOPFFMDNKH-UHFFFAOYSA-N
Compound name
4-(hydroxymethyl)-5-methylfuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

156.04225 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04953 129.5
[M+Na]+ 179.03147 139.7
[M+NH4]+ 174.07607 136.2
[M+K]+ 195.00541 138.5
[M-H]- 155.03497 129.9
[M+Na-2H]- 177.01692 132.4
[M]+ 156.04170 130.7
[M]- 156.04280 130.7
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