CID 19960140

2-(but-3-yn-1-yl)pyridine

Structural Information

Molecular Formula
C9H9N
SMILES
C#CCCC1=CC=CC=N1
InChI
InChI=1S/C9H9N/c1-2-3-6-9-7-4-5-8-10-9/h1,4-5,7-8H,3,6H2
InChIKey
NKMPWZALCOYXDR-UHFFFAOYSA-N
Compound name
2-but-3-ynylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

131.0735 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.080776 125.7
[M+Na]+ 154.062718 135.7
[M-H]- 130.066224 126.2
[M+NH4]+ 149.107323 143.9
[M+K]+ 170.036658 131.9
[M+H-H2O]+ 114.070760 113.3
[M+HCOO]- 176.071701 143.2
[M+CH3COO]- 190.087351 181.5
[M+Na-2H]- 152.048166 133.0
[M]+ 131.07295142 120.1
[M]- 131.07404858 120.1
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