CID 53966520

2-formylfuran-3-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

140.01096 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.01824 124.3
[M+Na]+ 163.00018 134.9
[M+NH4]+ 158.04478 131.3
[M+K]+ 178.97412 133.4
[M-H]- 139.00368 124.9
[M+Na-2H]- 160.98563 128.2
[M]+ 140.01041 125.7
[M]- 140.01151 125.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe