CID 165682481

Ethyl 3-(bromomethyl)-1-methyl-2-oxabicyclo[2.1.1]hexane-4-carboxylate

Structural Information

Molecular Formula
C10H15BrO3
SMILES
CCOC(=O)C12CC(C1)(OC2CBr)C
InChI
InChI=1S/C10H15BrO3/c1-3-13-8(12)10-5-9(2,6-10)14-7(10)4-11/h7H,3-6H2,1-2H3
InChIKey
USXIZLRCHTVXCX-UHFFFAOYSA-N
Compound name
ethyl 3-(bromomethyl)-1-methyl-2-oxabicyclo[2.1.1]hexane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.02045 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.02773 153.6
[M+Na]+ 285.00967 163.7
[M-H]- 261.01317 158.4
[M+NH4]+ 280.05427 177.1
[M+K]+ 300.98361 158.0
[M+H-H2O]+ 245.01771 154.4
[M+HCOO]- 307.01865 168.5
[M+CH3COO]- 321.03430 196.1
[M+Na-2H]- 282.99512 162.3
[M]+ 262.01990 186.6
[M]- 262.02100 186.6
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.