CID 119083565

1209007-31-7

Structural Information

Molecular Formula
C8H6N2O2S
SMILES
C1=CN=CC2=C1C(=C(S2)N)C(=O)O
InChI
InChI=1S/C8H6N2O2S/c9-7-6(8(11)12)4-1-2-10-3-5(4)13-7/h1-3H,9H2,(H,11,12)
InChIKey
KLIKPLZYPYZGIY-UHFFFAOYSA-N
Compound name
2-aminothieno[2,3-c]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.015 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.02228 136.9
[M+Na]+ 217.00422 148.5
[M+NH4]+ 212.04882 145.3
[M+K]+ 232.97816 143.5
[M-H]- 193.00772 138.3
[M+Na-2H]- 214.98967 141.9
[M]+ 194.01445 139.2
[M]- 194.01555 139.2
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.