CID 155821939

4-bromo-1-methyl-2-oxabicyclo[2.1.1]hexane

Structural Information

Molecular Formula
C6H9BrO
SMILES
CC12CC(C1)(CO2)Br
InChI
InChI=1S/C6H9BrO/c1-5-2-6(7,3-5)4-8-5/h2-4H2,1H3
InChIKey
HIAITJCHNHTNGV-UHFFFAOYSA-N
Compound name
4-bromo-1-methyl-2-oxabicyclo[2.1.1]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.98367 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.99095 135.1
[M+Na]+ 198.97289 131.5
[M+NH4]+ 194.01749 140.8
[M+K]+ 214.94683 133.4
[M-H]- 174.97639 131.3
[M+Na-2H]- 196.95834 132.1
[M]+ 175.98312 131.5
[M]- 175.98422 131.5
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.