CID 165729373

3-(bromomethyl)-8-oxabicyclo[3.2.1]octane

Structural Information

Molecular Formula
C8H13BrO
SMILES
C1CC2CC(CC1O2)CBr
InChI
InChI=1S/C8H13BrO/c9-5-6-3-7-1-2-8(4-6)10-7/h6-8H,1-5H2
InChIKey
PFEUDFCIZXLEGI-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-8-oxabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.01498 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.022256 142.3
[M+Na]+ 227.004198 152.1
[M-H]- 203.007704 147.9
[M+NH4]+ 222.048803 167.0
[M+K]+ 242.978138 143.3
[M+H-H2O]+ 187.012240 143.9
[M+HCOO]- 249.013181 158.9
[M+CH3COO]- 263.028831 182.1
[M+Na-2H]- 224.989646 149.4
[M]+ 204.01443142 158.5
[M]- 204.01552858 158.5
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.