CID 137952299

4-bromo-1,6-dioxaspiro[2.5]octane

Structural Information

Molecular Formula
C6H9BrO2
SMILES
C1COCC(C12CO2)Br
InChI
InChI=1S/C6H9BrO2/c7-5-3-8-2-1-6(5)4-9-6/h5H,1-4H2
InChIKey
HHHTYMKXQRGTOC-UHFFFAOYSA-N
Compound name
4-bromo-1,6-dioxaspiro[2.5]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.97859 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.985866 135.3
[M+Na]+ 214.967808 147.5
[M-H]- 190.971314 145.5
[M+NH4]+ 210.012413 153.4
[M+K]+ 230.941748 141.3
[M+H-H2O]+ 174.975850 135.9
[M+HCOO]- 236.976791 152.6
[M+CH3COO]- 250.992441 180.4
[M+Na-2H]- 212.953256 146.3
[M]+ 191.97804142 154.2
[M]- 191.97913858 154.2
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.