CID 137964155

5-bromospiro[2.3]hexane

Structural Information

Molecular Formula
C6H9Br
SMILES
C1CC12CC(C2)Br
InChI
InChI=1S/C6H9Br/c7-5-3-6(4-5)1-2-6/h5H,1-4H2
InChIKey
LTRHWVFUJDGVEF-UHFFFAOYSA-N
Compound name
5-bromospiro[2.3]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.98875 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.99603 117.8
[M+Na]+ 182.97797 118.8
[M+NH4]+ 178.02257 122.9
[M+K]+ 198.95191 120.2
[M-H]- 158.98147 122.8
[M+Na-2H]- 180.96342 123.6
[M]+ 159.98820 118.5
[M]- 159.98930 118.5
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.