CID 10487606

5-ethynyl-2,2'-bipyridine

Structural Information

Molecular Formula
C12H8N2
SMILES
C#CC1=CN=C(C=C1)C2=CC=CC=N2
InChI
InChI=1S/C12H8N2/c1-2-10-6-7-12(14-9-10)11-5-3-4-8-13-11/h1,3-9H
InChIKey
RQXYJBJCQSECMR-UHFFFAOYSA-N
Compound name
5-ethynyl-2-pyridin-2-ylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

27
Patents

180.06874 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.07602 138.9
[M+Na]+ 203.05796 149.6
[M-H]- 179.06146 140.1
[M+NH4]+ 198.10256 153.5
[M+K]+ 219.03190 143.4
[M+H-H2O]+ 163.06600 124.1
[M+HCOO]- 225.06694 155.1
[M+CH3COO]- 239.08259 149.8
[M+Na-2H]- 201.04341 145.8
[M]+ 180.06819 132.1
[M]- 180.06929 132.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe