CID 323535

3-aminothieno[2,3-b]pyridine-2-carboxylic acid

Structural Information

Molecular Formula
C8H6N2O2S
SMILES
C1=CC2=C(N=C1)SC(=C2N)C(=O)O
InChI
InChI=1S/C8H6N2O2S/c9-5-4-2-1-3-10-7(4)13-6(5)8(11)12/h1-3H,9H2,(H,11,12)
InChIKey
HGKGNTBBCCWIRD-UHFFFAOYSA-N
Compound name
3-aminothieno[2,3-b]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

31
Patents

194.015 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.02228 136.1
[M+Na]+ 217.00422 147.1
[M-H]- 193.00772 138.9
[M+NH4]+ 212.04882 156.9
[M+K]+ 232.97816 143.3
[M+H-H2O]+ 177.01226 130.8
[M+HCOO]- 239.01320 155.1
[M+CH3COO]- 253.02885 179.9
[M+Na-2H]- 214.98967 140.0
[M]+ 194.01445 138.4
[M]- 194.01555 138.4
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