CID 146049660

4-(bromomethyl)-2-oxabicyclo[2.2.2]octane

Structural Information

Molecular Formula
C8H13BrO
SMILES
C1CC2(CCC1OC2)CBr
InChI
InChI=1S/C8H13BrO/c9-5-8-3-1-7(2-4-8)10-6-8/h7H,1-6H2
InChIKey
QUKUZSSLZLNYBP-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-2-oxabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.01498 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.022256 138.5
[M+Na]+ 227.004198 146.4
[M-H]- 203.007704 139.0
[M+NH4]+ 222.048803 165.6
[M+K]+ 242.978138 138.2
[M+H-H2O]+ 187.012240 140.2
[M+HCOO]- 249.013181 148.6
[M+CH3COO]- 263.028831 151.6
[M+Na-2H]- 224.989646 152.6
[M]+ 204.01443142 157.3
[M]- 204.01552858 157.3
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.