CID 13081748

4-ethynyl-2,6-dimethyl-pyridine

Structural Information

Molecular Formula
C9H9N
SMILES
CC1=CC(=CC(=N1)C)C#C
InChI
InChI=1S/C9H9N/c1-4-9-5-7(2)10-8(3)6-9/h1,5-6H,2-3H3
InChIKey
GADAGOMYXYMHKZ-UHFFFAOYSA-N
Compound name
4-ethynyl-2,6-dimethylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

131.0735 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.08078 126.1
[M+Na]+ 154.06272 140.3
[M+NH4]+ 149.10732 131.8
[M+K]+ 170.03666 130.3
[M-H]- 130.06622 120.6
[M+Na-2H]- 152.04817 131.1
[M]+ 131.07295 125.9
[M]- 131.07405 125.9
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