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]+ 192.98587 126.7
[M+Na]+ 214.96781 131.1
[M+NH4]+ 210.01241 134.4
[M+K]+ 230.94175 131.9
[M-H]- 190.97131 136.2
[M+Na-2H]- 212.95326 133.2
[M]+ 191.97804 130.1
[M]- 191.97914 130.1
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.