CID 155820887

6-(2-bromoethyl)spiro[2.5]octane

Structural Information

Molecular Formula
C10H17Br
SMILES
C1CC2(CCC1CCBr)CC2
InChI
InChI=1S/C10H17Br/c11-8-3-9-1-4-10(5-2-9)6-7-10/h9H,1-8H2
InChIKey
PQMDRPCHQJRFPB-UHFFFAOYSA-N
Compound name
6-(2-bromoethyl)spiro[2.5]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.05136 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.058636 145.7
[M+Na]+ 239.040578 156.5
[M-H]- 215.044084 154.2
[M+NH4]+ 234.085183 165.4
[M+K]+ 255.014518 146.5
[M+H-H2O]+ 199.048620 146.3
[M+HCOO]- 261.049561 163.6
[M+CH3COO]- 275.065211 187.6
[M+Na-2H]- 237.026026 153.1
[M]+ 216.05081142 162.0
[M]- 216.05190858 162.0
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.