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

0
Patents

131.0735 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.08078 124.4
[M+Na]+ 154.06272 136.0
[M-H]- 130.06622 125.7
[M+NH4]+ 149.10732 143.3
[M+K]+ 170.03666 132.5
[M+H-H2O]+ 114.07076 112.6
[M+HCOO]- 176.07170 142.0
[M+CH3COO]- 190.08735 183.5
[M+Na-2H]- 152.04817 130.5
[M]+ 131.07295 119.5
[M]- 131.07405 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