CID 170918284

4-(bromomethyl)-1-ethynyl-2-oxabicyclo(2.1.1)hexane

Structural Information

Molecular Formula
C8H9BrO
SMILES
C#CC12CC(C1)(CO2)CBr
InChI
InChI=1S/C8H9BrO/c1-2-8-3-7(4-8,5-9)6-10-8/h1H,3-6H2
InChIKey
RCPZCAJVAVBNOU-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-1-ethynyl-2-oxabicyclo[2.1.1]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.98367 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.99095 143.1
[M+Na]+ 222.97289 141.0
[M+NH4]+ 218.01749 145.7
[M+K]+ 238.94683 139.2
[M-H]- 198.97639 133.2
[M+Na-2H]- 220.95834 138.2
[M]+ 199.98312 137.7
[M]- 199.98422 137.7
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.