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]+ 121.06480 123.6
[M+Na]+ 143.04674 135.6
[M+NH4]+ 138.09134 129.2
[M+K]+ 159.02068 128.0
[M-H]- 119.05024 118.5
[M+Na-2H]- 141.03219 127.0
[M]+ 120.05697 123.0
[M]- 120.05807 123.0
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