CID 172915709

4-ethynyl-2-oxabicyclo[2.1.1]hexane

Structural Information

Molecular Formula
C7H8O
SMILES
C#CC12CC(C1)OC2
InChI
InChI=1S/C7H8O/c1-2-7-3-6(4-7)8-5-7/h1,6H,3-5H2
InChIKey
CPWRWUZZNUGHPJ-UHFFFAOYSA-N
Compound name
4-ethynyl-2-oxabicyclo[2.1.1]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

108.05752 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.064796 120.2
[M+Na]+ 131.046738 131.1
[M-H]- 107.050244 122.0
[M+NH4]+ 126.091343 142.3
[M+K]+ 147.020678 129.0
[M+H-H2O]+ 91.054780 109.3
[M+HCOO]- 153.055721 134.3
[M+CH3COO]- 167.071371 133.5
[M+Na-2H]- 129.032186 129.6
[M]+ 108.05697142 127.2
[M]- 108.05806858 127.2
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