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

176
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 122.1
[M+Na]+ 163.00018 131.4
[M-H]- 139.00368 125.8
[M+NH4]+ 158.04478 143.5
[M+K]+ 178.97412 131.7
[M+H-H2O]+ 123.00822 117.7
[M+HCOO]- 185.00916 146.3
[M+CH3COO]- 199.02481 168.0
[M+Na-2H]- 160.98563 128.4
[M]+ 140.01041 124.5
[M]- 140.01151 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