CID 85584887

3-bromo-1-oxaspiro[4.5]decane

Structural Information

Molecular Formula
C9H15BrO
SMILES
C1CCC2(CC1)CC(CO2)Br
InChI
InChI=1S/C9H15BrO/c10-8-6-9(11-7-8)4-2-1-3-5-9/h8H,1-7H2
InChIKey
FHXBHZFDEBUFDK-UHFFFAOYSA-N
Compound name
3-bromo-1-oxaspiro[4.5]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.03062 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.037896 146.2
[M+Na]+ 241.019838 154.9
[M-H]- 217.023344 154.1
[M+NH4]+ 236.064443 170.6
[M+K]+ 256.993778 146.2
[M+H-H2O]+ 201.027880 147.6
[M+HCOO]- 263.028821 162.9
[M+CH3COO]- 277.044471 160.5
[M+Na-2H]- 239.005286 152.5
[M]+ 218.03007142 159.3
[M]- 218.03116858 159.3
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.