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 140.3
[M+Na]+ 198.99366 154.8
[M-H]- 174.99716 143.4
[M+NH4]+ 194.03826 160.4
[M+K]+ 214.96760 149.2
[M+H-H2O]+ 159.00170 128.6
[M+HCOO]- 221.00264 156.3
[M+CH3COO]- 235.01829 153.3
[M+Na-2H]- 196.97911 144.7
[M]+ 176.00389 138.1
[M]- 176.00499 138.1
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.