CID 167714998

1-(bromomethyl)-4-ethyl-2-oxabicyclo[2.1.1]hexane

Structural Information

Molecular Formula
C8H13BrO
SMILES
CCC12CC(C1)(OC2)CBr
InChI
InChI=1S/C8H13BrO/c1-2-7-3-8(4-7,5-9)10-6-7/h2-6H2,1H3
InChIKey
MQWCCXFYTQHFNA-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-4-ethyl-2-oxabicyclo[2.1.1]hexane
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 138.9
[M+Na]+ 227.004198 149.9
[M-H]- 203.007704 144.0
[M+NH4]+ 222.048803 164.8
[M+K]+ 242.978138 143.7
[M+H-H2O]+ 187.012240 139.8
[M+HCOO]- 249.013181 155.3
[M+CH3COO]- 263.028831 154.3
[M+Na-2H]- 224.989646 150.1
[M]+ 204.01443142 169.8
[M]- 204.01552858 169.8
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.