CID 88862

2-(3-thienyl)pyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

318
Patents

161.02992 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.037196 129.8
[M+Na]+ 184.019138 139.7
[M-H]- 160.022644 136.1
[M+NH4]+ 179.063743 151.8
[M+K]+ 199.993078 136.5
[M+H-H2O]+ 144.027180 123.5
[M+HCOO]- 206.028121 150.6
[M+CH3COO]- 220.043771 144.6
[M+Na-2H]- 182.004586 134.6
[M]+ 161.02937142 131.0
[M]- 161.03046858 131.0
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