CID 12204421

55722-31-1

Structural Information

Molecular Formula
C5H7BrO
SMILES
C1[C@@H]2[C@@H](C2Br)CO1
InChI
InChI=1S/C5H7BrO/c6-5-3-1-7-2-4(3)5/h3-5H,1-2H2/t3-,4+,5?
InChIKey
DPLRTUCUZWSSQA-NGQZWQHPSA-N
Compound name
(1R,5S)-6-bromo-3-oxabicyclo[3.1.0]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.96803 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.97531 129.1
[M+Na]+ 184.95725 143.5
[M-H]- 160.96075 138.0
[M+NH4]+ 180.00185 150.4
[M+K]+ 200.93119 134.4
[M+H-H2O]+ 144.96529 129.9
[M+HCOO]- 206.96623 149.4
[M+CH3COO]- 220.98188 178.0
[M+Na-2H]- 182.94270 138.0
[M]+ 161.96748 149.1
[M]- 161.96858 149.1
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.