CID 19010290

2731014-53-0

Structural Information

Molecular Formula
C10H7NO3
SMILES
C1=COC(=C1)C2=NC=C(C=C2)C(=O)O
InChI
InChI=1S/C10H7NO3/c12-10(13)7-3-4-8(11-6-7)9-2-1-5-14-9/h1-6H,(H,12,13)
InChIKey
ALJRNVXLRKHVQF-UHFFFAOYSA-N
Compound name
6-(furan-2-yl)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

189.04259 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.049866 136.3
[M+Na]+ 212.031808 145.0
[M-H]- 188.035314 141.7
[M+NH4]+ 207.076413 154.1
[M+K]+ 228.005748 143.7
[M+H-H2O]+ 172.039850 129.6
[M+HCOO]- 234.040791 159.0
[M+CH3COO]- 248.056441 177.2
[M+Na-2H]- 210.017256 142.4
[M]+ 189.04204142 137.4
[M]- 189.04313858 137.4
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