CID 146049660

4-(bromomethyl)-2-oxabicyclo[2.2.2]octane

Structural Information

Molecular Formula
C8H13BrO
SMILES
C1CC2(CCC1OC2)CBr
InChI
InChI=1S/C8H13BrO/c9-5-8-3-1-7(2-4-8)10-6-8/h7H,1-6H2
InChIKey
QUKUZSSLZLNYBP-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-2-oxabicyclo[2.2.2]octane
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]+ 205.02226 138.5
[M+Na]+ 227.00420 146.4
[M-H]- 203.00770 139.0
[M+NH4]+ 222.04880 165.6
[M+K]+ 242.97814 138.2
[M+H-H2O]+ 187.01224 140.2
[M+HCOO]- 249.01318 148.6
[M+CH3COO]- 263.02883 151.6
[M+Na-2H]- 224.98965 152.6
[M]+ 204.01443 157.3
[M]- 204.01553 157.3
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.