CID 70413048

2h,3h-furo[2,3-b]pyridine-5-carboxylic acid

Structural Information

Molecular Formula
C8H7NO3
SMILES
C1COC2=C1C=C(C=N2)C(=O)O
InChI
InChI=1S/C8H7NO3/c10-8(11)6-3-5-1-2-12-7(5)9-4-6/h3-4H,1-2H2,(H,10,11)
InChIKey
XGEWRULGZRCQFC-UHFFFAOYSA-N
Compound name
2,3-dihydrofuro[2,3-b]pyridine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

165.04259 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.049866 129.9
[M+Na]+ 188.031808 138.6
[M-H]- 164.035314 132.7
[M+NH4]+ 183.076413 150.0
[M+K]+ 204.005748 137.9
[M+H-H2O]+ 148.039850 124.4
[M+HCOO]- 210.040791 150.2
[M+CH3COO]- 224.056441 173.3
[M+Na-2H]- 186.017256 136.9
[M]+ 165.04204142 130.3
[M]- 165.04313858 130.3
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