CID 177798808

2-(bromomethyl)-6-oxaspiro[3.4]octane

Structural Information

Molecular Formula
C8H13BrO
SMILES
C1COCC12CC(C2)CBr
InChI
InChI=1S/C8H13BrO/c9-5-7-3-8(4-7)1-2-10-6-8/h7H,1-6H2
InChIKey
OTLWKGRVDIOAIK-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-6-oxaspiro[3.4]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.01498 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.022256 128.0
[M+Na]+ 227.004198 137.2
[M-H]- 203.007704 136.6
[M+NH4]+ 222.048803 147.2
[M+K]+ 242.978138 131.5
[M+H-H2O]+ 187.012240 126.1
[M+HCOO]- 249.013181 146.5
[M+CH3COO]- 263.028831 183.3
[M+Na-2H]- 224.989646 136.4
[M]+ 204.01443142 152.1
[M]- 204.01552858 152.1
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.