CID 137935295

2-(bromomethyl)-8-oxabicyclo[5.1.0]octane

Structural Information

Molecular Formula
C8H13BrO
SMILES
C1CCC2C(O2)C(C1)CBr
InChI
InChI=1S/C8H13BrO/c9-5-6-3-1-2-4-7-8(6)10-7/h6-8H,1-5H2
InChIKey
NXGOBIJCWHDROF-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-8-oxabicyclo[5.1.0]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.01498 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.022256 131.2
[M+Na]+ 227.004198 140.9
[M-H]- 203.007704 140.0
[M+NH4]+ 222.048803 147.9
[M+K]+ 242.978138 135.7
[M+H-H2O]+ 187.012240 131.8
[M+HCOO]- 249.013181 148.2
[M+CH3COO]- 263.028831 145.4
[M+Na-2H]- 224.989646 139.8
[M]+ 204.01443142 146.4
[M]- 204.01552858 146.4
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.