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

7
Patents

179.0735 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.080776 140.5
[M+Na]+ 202.062718 151.3
[M-H]- 178.066224 143.3
[M+NH4]+ 197.107323 156.6
[M+K]+ 218.036658 144.7
[M+H-H2O]+ 162.070760 126.8
[M+HCOO]- 224.071701 157.9
[M+CH3COO]- 238.087351 151.9
[M+Na-2H]- 200.048166 146.9
[M]+ 179.07295142 133.8
[M]- 179.07404858 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