CID 132343873

2137033-85-1

Structural Information

Molecular Formula
C9H15BrO
SMILES
CC12CCC(CC1)(CO2)CBr
InChI
InChI=1S/C9H15BrO/c1-8-2-4-9(6-10,5-3-8)7-11-8/h2-7H2,1H3
InChIKey
PFSQHMBTVBRYOJ-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-1-methyl-2-oxabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.03062 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.03790 142.8
[M+Na]+ 241.01984 151.4
[M-H]- 217.02334 143.5
[M+NH4]+ 236.06444 171.3
[M+K]+ 256.99378 142.9
[M+H-H2O]+ 201.02788 144.5
[M+HCOO]- 263.02882 152.5
[M+CH3COO]- 277.04447 155.9
[M+Na-2H]- 239.00529 157.2
[M]+ 218.03007 162.4
[M]- 218.03117 162.4
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.