CID 595145

3-(2-thienyl)pyridine

Structural Information

Molecular Formula
C9H7NS
SMILES
C1=CC(=CN=C1)C2=CC=CS2
InChI
InChI=1S/C9H7NS/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1-7H
InChIKey
ZHBLIWDUZHFSJW-UHFFFAOYSA-N
Compound name
3-thiophen-2-ylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

262
Patents

161.02992 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.03720 130.7
[M+Na]+ 184.01914 145.0
[M+NH4]+ 179.06374 141.5
[M+K]+ 199.99308 136.9
[M-H]- 160.02264 135.5
[M+Na-2H]- 182.00459 140.5
[M]+ 161.02937 134.7
[M]- 161.03047 134.7
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