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

11
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 121.9
[M+Na]+ 143.04674 132.7
[M-H]- 119.05024 124.5
[M+NH4]+ 138.09134 142.3
[M+K]+ 159.02068 130.3
[M+H-H2O]+ 103.05478 110.7
[M+HCOO]- 165.05572 141.0
[M+CH3COO]- 179.07137 178.3
[M+Na-2H]- 141.03219 128.6
[M]+ 120.05697 118.1
[M]- 120.05807 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