CID 119054384

7-hydroxythieno[3,2-b]pyridine-2-carbonitrile

Structural Information

Molecular Formula
C8H4N2OS
SMILES
C1=CNC2=C(C1=O)SC(=C2)C#N
InChI
InChI=1S/C8H4N2OS/c9-4-5-3-6-8(12-5)7(11)1-2-10-6/h1-3H,(H,10,11)
InChIKey
NBLPKZQKXSTDKG-UHFFFAOYSA-N
Compound name
7-oxo-4H-thieno[3,2-b]pyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.00444 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.01172 131.7
[M+Na]+ 198.99366 144.7
[M+NH4]+ 194.03826 137.4
[M+K]+ 214.96760 135.1
[M-H]- 174.99716 126.1
[M+Na-2H]- 196.97911 135.5
[M]+ 176.00389 131.5
[M]- 176.00499 131.5
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.