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

127
Patents

191.97859 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.98587 119.5
[M+Na]+ 214.96781 129.2
[M-H]- 190.97131 128.9
[M+NH4]+ 210.01241 137.9
[M+K]+ 230.94175 125.5
[M+H-H2O]+ 174.97585 118.1
[M+HCOO]- 236.97679 138.0
[M+CH3COO]- 250.99244 179.8
[M+Na-2H]- 212.95326 130.1
[M]+ 191.97804 144.9
[M]- 191.97914 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