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

0
Patents

108.05752 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.06480 120.2
[M+Na]+ 131.04674 131.1
[M-H]- 107.05024 122.0
[M+NH4]+ 126.09134 142.3
[M+K]+ 147.02068 129.0
[M+H-H2O]+ 91.054780 109.3
[M+HCOO]- 153.05572 134.3
[M+CH3COO]- 167.07137 133.5
[M+Na-2H]- 129.03219 129.6
[M]+ 108.05697 127.2
[M]- 108.05807 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

No patent data available for this compound.