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

7
Patents

131.0735 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.08078 125.7
[M+Na]+ 154.06272 135.7
[M-H]- 130.06622 126.2
[M+NH4]+ 149.10732 143.9
[M+K]+ 170.03666 131.9
[M+H-H2O]+ 114.07076 113.3
[M+HCOO]- 176.07170 143.2
[M+CH3COO]- 190.08735 181.5
[M+Na-2H]- 152.04817 133.0
[M]+ 131.07295 120.1
[M]- 131.07405 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