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-formylpyridin-2-yl)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]+ 218.04478 142.5
[M+Na]+ 240.02672 151.9
[M-H]- 216.03022 148.1
[M+NH4]+ 235.07132 159.3
[M+K]+ 256.00066 150.3
[M+H-H2O]+ 200.03476 135.7
[M+HCOO]- 262.03570 165.2
[M+CH3COO]- 276.05135 182.8
[M+Na-2H]- 238.01217 147.5
[M]+ 217.03695 145.1
[M]- 217.03805 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.