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 118.7
[M+Na]+ 182.97797 131.3
[M-H]- 158.98147 128.3
[M+NH4]+ 178.02257 135.1
[M+K]+ 198.95191 124.7
[M+H-H2O]+ 142.98601 116.4
[M+HCOO]- 204.98695 139.0
[M+CH3COO]- 219.00260 181.8
[M+Na-2H]- 180.96342 129.2
[M]+ 159.98820 144.5
[M]- 159.98930 144.5
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.