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 135.3
[M+Na]+ 214.96781 147.5
[M-H]- 190.97131 145.5
[M+NH4]+ 210.01241 153.4
[M+K]+ 230.94175 141.3
[M+H-H2O]+ 174.97585 135.9
[M+HCOO]- 236.97679 152.6
[M+CH3COO]- 250.99244 180.4
[M+Na-2H]- 212.95326 146.3
[M]+ 191.97804 154.2
[M]- 191.97914 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.