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

28
Patents

185.02992 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.03720 144.0
[M+Na]+ 208.01914 156.7
[M-H]- 184.02264 148.3
[M+NH4]+ 203.06374 162.7
[M+K]+ 223.99308 150.7
[M+H-H2O]+ 168.02718 131.3
[M+HCOO]- 230.02812 158.2
[M+CH3COO]- 244.04377 156.2
[M+Na-2H]- 206.00459 145.7
[M]+ 185.02937 139.9
[M]- 185.03047 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