CID 130837510

Rac-(1r,4r,5r)-4-bromo-6-oxabicyclo[3.2.1]octane

Structural Information

Molecular Formula
C7H11BrO
SMILES
C1C[C@H]([C@H]2C[C@@H]1CO2)Br
InChI
InChI=1S/C7H11BrO/c8-6-2-1-5-3-7(6)9-4-5/h5-7H,1-4H2/t5-,6-,7-/m1/s1
InChIKey
XWJGCNVUSVPYMU-FSDSQADBSA-N
Compound name
(1R,4R,5R)-4-bromo-6-oxabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.99933 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.00661 137.5
[M+Na]+ 212.98855 147.8
[M-H]- 188.99205 143.4
[M+NH4]+ 208.03315 162.7
[M+K]+ 228.96249 139.2
[M+H-H2O]+ 172.99659 139.3
[M+HCOO]- 234.99753 154.5
[M+CH3COO]- 249.01318 152.7
[M+Na-2H]- 210.97400 145.2
[M]+ 189.99878 153.5
[M]- 189.99988 153.5
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.