CID 22323783

5-formylfuran-3-carboxylic acid

Structural Information

Molecular Formula
C6H4O4
SMILES
C1=C(OC=C1C(=O)O)C=O
InChI
InChI=1S/C6H4O4/c7-2-5-1-4(3-10-5)6(8)9/h1-3H,(H,8,9)
InChIKey
IRYKMSRWDXXLJL-UHFFFAOYSA-N
Compound name
5-formylfuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

150
Patents

140.01096 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.018236 122.1
[M+Na]+ 163.000178 131.4
[M-H]- 139.003684 125.8
[M+NH4]+ 158.044783 143.5
[M+K]+ 178.974118 131.7
[M+H-H2O]+ 123.008220 117.7
[M+HCOO]- 185.009161 146.3
[M+CH3COO]- 199.024811 168.0
[M+Na-2H]- 160.985626 128.4
[M]+ 140.01041142 124.5
[M]- 140.01150858 124.5
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