CID 167720201

Methyl 4-(bromomethyl)-2-oxabicyclo[2.2.2]octane-1-carboxylate

Structural Information

Molecular Formula
C10H15BrO3
SMILES
COC(=O)C12CCC(CC1)(CO2)CBr
InChI
InChI=1S/C10H15BrO3/c1-13-8(12)10-4-2-9(6-11,3-5-10)7-14-10/h2-7H2,1H3
InChIKey
VCUWOYDKDAUBLM-UHFFFAOYSA-N
Compound name
methyl 4-(bromomethyl)-2-oxabicyclo[2.2.2]octane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.02045 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.02773 151.7
[M+Na]+ 285.00967 159.5
[M-H]- 261.01317 151.9
[M+NH4]+ 280.05427 178.2
[M+K]+ 300.98361 151.8
[M+H-H2O]+ 245.01771 153.3
[M+HCOO]- 307.01865 160.4
[M+CH3COO]- 321.03430 163.9
[M+Na-2H]- 282.99512 164.9
[M]+ 262.01990 173.0
[M]- 262.02100 173.0
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.