CID 165945279

2703778-66-7

Structural Information

Molecular Formula
C9H15BrO
SMILES
C1CC2(CCC(C2)Br)COC1
InChI
InChI=1S/C9H15BrO/c10-8-2-4-9(6-8)3-1-5-11-7-9/h8H,1-7H2
InChIKey
ALZTYARYAXDOAZ-UHFFFAOYSA-N
Compound name
3-bromo-7-oxaspiro[4.5]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.03062 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.03790 146.2
[M+Na]+ 241.01984 154.9
[M-H]- 217.02334 154.1
[M+NH4]+ 236.06444 170.6
[M+K]+ 256.99378 146.2
[M+H-H2O]+ 201.02788 147.6
[M+HCOO]- 263.02882 162.9
[M+CH3COO]- 277.04447 160.5
[M+Na-2H]- 239.00529 152.5
[M]+ 218.03007 159.3
[M]- 218.03117 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.