CID 139023963

5-(5-formylpyridin-2-yl)furan-2-carboxylic acid

Structural Information

Molecular Formula
C11H7NO4
SMILES
C1=CC(=NC=C1C=O)C2=CC=C(O2)C(=O)O
InChI
InChI=1S/C11H7NO4/c13-6-7-1-2-8(12-5-7)9-3-4-10(16-9)11(14)15/h1-6H,(H,14,15)
InChIKey
DDJRPEQEENMNBR-UHFFFAOYSA-N
Compound name
5-(5-formyl-2-pyridinyl)furan-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.0375 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.044776 142.5
[M+Na]+ 240.026718 151.9
[M-H]- 216.030224 148.1
[M+NH4]+ 235.071323 159.3
[M+K]+ 256.000658 150.3
[M+H-H2O]+ 200.034760 135.7
[M+HCOO]- 262.035701 165.2
[M+CH3COO]- 276.051351 182.8
[M+Na-2H]- 238.012166 147.5
[M]+ 217.03695142 145.1
[M]- 217.03804858 145.1
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

No patent data available for this compound.