CID 81223577

8-bromo-5-oxaspiro[3.5]nonane

Structural Information

Molecular Formula
C8H13BrO
SMILES
C1CC2(C1)CC(CCO2)Br
InChI
InChI=1S/C8H13BrO/c9-7-2-5-10-8(6-7)3-1-4-8/h7H,1-6H2
InChIKey
FTEWGHWHMRMMML-UHFFFAOYSA-N
Compound name
8-bromo-5-oxaspiro[3.5]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.01498 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.022256 125.7
[M+Na]+ 227.004198 134.0
[M-H]- 203.007704 134.1
[M+NH4]+ 222.048803 143.2
[M+K]+ 242.978138 128.8
[M+H-H2O]+ 187.012240 123.2
[M+HCOO]- 249.013181 142.3
[M+CH3COO]- 263.028831 183.5
[M+Na-2H]- 224.989646 135.6
[M]+ 204.01443142 148.1
[M]- 204.01552858 148.1
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.