CID 86263265

2-(thiophen-3-yl)pyridine-4-carbonitrile

Structural Information

Molecular Formula
C10H6N2S
SMILES
C1=CN=C(C=C1C#N)C2=CSC=C2
InChI
InChI=1S/C10H6N2S/c11-6-8-1-3-12-10(5-8)9-2-4-13-7-9/h1-5,7H
InChIKey
FPRCAHHJRROFGN-UHFFFAOYSA-N
Compound name
2-thiophen-3-ylpyridine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.02516 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.03244 143.5
[M+Na]+ 209.01438 155.9
[M-H]- 185.01788 148.9
[M+NH4]+ 204.05898 162.4
[M+K]+ 224.98832 150.9
[M+H-H2O]+ 169.02242 130.1
[M+HCOO]- 231.02336 160.1
[M+CH3COO]- 245.03901 156.0
[M+Na-2H]- 206.99983 146.4
[M]+ 186.02461 140.0
[M]- 186.02571 140.0
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.