CID 86084841

2-(4-ethynylphenyl)pyridine

Structural Information

Molecular Formula
C13H9N
SMILES
C#CC1=CC=C(C=C1)C2=CC=CC=N2
InChI
InChI=1S/C13H9N/c1-2-11-6-8-12(9-7-11)13-5-3-4-10-14-13/h1,3-10H
InChIKey
ZBCIJCCTSYYNKM-UHFFFAOYSA-N
Compound name
2-(4-ethynylphenyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

179.0735 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.08078 140.5
[M+Na]+ 202.06272 151.3
[M-H]- 178.06622 143.3
[M+NH4]+ 197.10732 156.6
[M+K]+ 218.03666 144.7
[M+H-H2O]+ 162.07076 126.8
[M+HCOO]- 224.07170 157.9
[M+CH3COO]- 238.08735 151.9
[M+Na-2H]- 200.04817 146.9
[M]+ 179.07295 133.8
[M]- 179.07405 133.8
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