CID 54713799

Methyl 3-hydroxyfuro[3,2-b]pyridine-2-carboxylate

Structural Information

Molecular Formula
C9H7NO4
SMILES
COC(=O)C1=C(C2=C(O1)C=CC=N2)O
InChI
InChI=1S/C9H7NO4/c1-13-9(12)8-7(11)6-5(14-8)3-2-4-10-6/h2-4,11H,1H3
InChIKey
BIMSZOTZTGCYEO-UHFFFAOYSA-N
Compound name
methyl 3-hydroxyfuro[3,2-b]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.0375 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.044776 134.8
[M+Na]+ 216.026718 146.0
[M-H]- 192.030224 138.7
[M+NH4]+ 211.071323 154.3
[M+K]+ 232.000658 145.3
[M+H-H2O]+ 176.034760 129.2
[M+HCOO]- 238.035701 157.9
[M+CH3COO]- 252.051351 178.4
[M+Na-2H]- 214.012166 142.5
[M]+ 193.03695142 140.2
[M]- 193.03804858 140.2
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.