CID 22166143

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

Structural Information

Molecular Formula
C8H8O
SMILES
C#CCCC1=CC=CO1
InChI
InChI=1S/C8H8O/c1-2-3-5-8-6-4-7-9-8/h1,4,6-7H,3,5H2
InChIKey
GAWCWJNRLXARKW-UHFFFAOYSA-N
Compound name
2-but-3-ynylfuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

120.05752 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.064796 121.9
[M+Na]+ 143.046738 132.7
[M-H]- 119.050244 124.5
[M+NH4]+ 138.091343 142.3
[M+K]+ 159.020678 130.3
[M+H-H2O]+ 103.054780 110.7
[M+HCOO]- 165.055721 141.0
[M+CH3COO]- 179.071371 178.3
[M+Na-2H]- 141.032186 128.6
[M]+ 120.05697142 118.1
[M]- 120.05806858 118.1
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