CID 132343767

4-(bromomethyl)-1-methyl-2-oxabicyclo[2.1.1]hexane

Structural Information

Molecular Formula
C7H11BrO
SMILES
CC12CC(C1)(CO2)CBr
InChI
InChI=1S/C7H11BrO/c1-6-2-7(3-6,4-8)5-9-6/h2-5H2,1H3
InChIKey
ANTNRIMCLYAMHN-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-1-methyl-2-oxabicyclo[2.1.1]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.99933 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.00661 134.1
[M+Na]+ 212.98855 145.5
[M-H]- 188.99205 139.5
[M+NH4]+ 208.03315 160.5
[M+K]+ 228.96249 139.6
[M+H-H2O]+ 172.99659 135.2
[M+HCOO]- 234.99753 150.9
[M+CH3COO]- 249.01318 150.0
[M+Na-2H]- 210.97400 145.9
[M]+ 189.99878 164.8
[M]- 189.99988 164.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.