CID 14372168

Furo[2,3-b]pyridine-5-carboxylic acid

Structural Information

Molecular Formula
C8H5NO3
SMILES
C1=COC2=NC=C(C=C21)C(=O)O
InChI
InChI=1S/C8H5NO3/c10-8(11)6-3-5-1-2-12-7(5)9-4-6/h1-4H,(H,10,11)
InChIKey
YBPWMRNKTGNBML-UHFFFAOYSA-N
Compound name
furo[2,3-b]pyridine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

150
Patents

163.02695 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.03423 127.2
[M+Na]+ 186.01617 137.9
[M-H]- 162.01967 130.8
[M+NH4]+ 181.06077 147.6
[M+K]+ 201.99011 136.9
[M+H-H2O]+ 146.02421 121.6
[M+HCOO]- 208.02515 150.4
[M+CH3COO]- 222.04080 172.7
[M+Na-2H]- 184.00162 136.1
[M]+ 163.02640 130.4
[M]- 163.02750 130.4
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