CID 67004316

2-bromo-5,8-dioxaspiro[3.4]octane

Structural Information

Molecular Formula
C6H9BrO2
SMILES
C1COC2(O1)CC(C2)Br
InChI
InChI=1S/C6H9BrO2/c7-5-3-6(4-5)8-1-2-9-6/h5H,1-4H2
InChIKey
ROJASEXNUCZUED-UHFFFAOYSA-N
Compound name
2-bromo-5,8-dioxaspiro[3.4]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

191.97859 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.985866 119.5
[M+Na]+ 214.967808 129.2
[M-H]- 190.971314 128.9
[M+NH4]+ 210.012413 137.9
[M+K]+ 230.941748 125.5
[M+H-H2O]+ 174.975850 118.1
[M+HCOO]- 236.976791 138.0
[M+CH3COO]- 250.992441 179.8
[M+Na-2H]- 212.953256 130.1
[M]+ 191.97804142 144.9
[M]- 191.97913858 144.9
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

patents stripe