CID 15084146

2-(5-ethynylthien-2-yl)pyridine

Structural Information

Molecular Formula
C11H7NS
SMILES
C#CC1=CC=C(S1)C2=CC=CC=N2
InChI
InChI=1S/C11H7NS/c1-2-9-6-7-11(13-9)10-5-3-4-8-12-10/h1,3-8H
InChIKey
CTZZEBNNWDVUFO-UHFFFAOYSA-N
Compound name
2-(5-ethynylthiophen-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

185.02992 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.037196 144.0
[M+Na]+ 208.019138 156.7
[M-H]- 184.022644 148.3
[M+NH4]+ 203.063743 162.7
[M+K]+ 223.993078 150.7
[M+H-H2O]+ 168.027180 131.3
[M+HCOO]- 230.028121 158.2
[M+CH3COO]- 244.043771 156.2
[M+Na-2H]- 206.004586 145.7
[M]+ 185.02937142 139.9
[M]- 185.03046858 139.9
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

patents stripe