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]+ 205.02226 131.2
[M+Na]+ 227.00420 140.9
[M-H]- 203.00770 140.0
[M+NH4]+ 222.04880 147.9
[M+K]+ 242.97814 135.7
[M+H-H2O]+ 187.01224 131.8
[M+HCOO]- 249.01318 148.2
[M+CH3COO]- 263.02883 145.4
[M+Na-2H]- 224.98965 139.8
[M]+ 204.01443 146.4
[M]- 204.01553 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.