CID 10855490

3-but-3-ynylpyridine

Structural Information

Molecular Formula
C9H9N
SMILES
C#CCCC1=CN=CC=C1
InChI
InChI=1S/C9H9N/c1-2-3-5-9-6-4-7-10-8-9/h1,4,6-8H,3,5H2
InChIKey
WUKPYBAXHUSNSK-UHFFFAOYSA-N
Compound name
3-but-3-ynylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

131.0735 Da
Monoisotopic Mass

1.4
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

literature stripe

Patent stripe

patents stripe