CID 74888911

2-ethynyl-3,5-dimethylpyridine

Structural Information

Molecular Formula
C9H9N
SMILES
CC1=CC(=C(N=C1)C#C)C
InChI
InChI=1S/C9H9N/c1-4-9-8(3)5-7(2)6-10-9/h1,5-6H,2-3H3
InChIKey
VRKQKZIFNKUYPC-UHFFFAOYSA-N
Compound name
2-ethynyl-3,5-dimethylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

131.0735 Da
Monoisotopic Mass

1.9
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

No literature data available for this compound.

Patent stripe

patents stripe