CID 13081748

4-ethynyl-2,6-dimethylpyridine

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

10
Patents

131.0735 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.080776 124.4
[M+Na]+ 154.062718 136.0
[M-H]- 130.066224 125.7
[M+NH4]+ 149.107323 143.3
[M+K]+ 170.036658 132.5
[M+H-H2O]+ 114.070760 112.6
[M+HCOO]- 176.071701 142.0
[M+CH3COO]- 190.087351 183.5
[M+Na-2H]- 152.048166 130.5
[M]+ 131.07295142 119.5
[M]- 131.07404858 119.5
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