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]+ 205.02226 140.9
[M+Na]+ 227.00420 142.1
[M+NH4]+ 222.04880 147.2
[M+K]+ 242.97814 143.3
[M-H]- 203.00770 142.0
[M+Na-2H]- 224.98965 140.4
[M]+ 204.01443 140.1
[M]- 204.01553 140.1
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.