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]+ 217.05864 145.7
[M+Na]+ 239.04058 156.5
[M-H]- 215.04408 154.2
[M+NH4]+ 234.08518 165.4
[M+K]+ 255.01452 146.5
[M+H-H2O]+ 199.04862 146.3
[M+HCOO]- 261.04956 163.6
[M+CH3COO]- 275.06521 187.6
[M+Na-2H]- 237.02603 153.1
[M]+ 216.05081 162.0
[M]- 216.05191 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.