CID 165751944

Rac-(1r,2s,5s)-2-(bromomethyl)-3-oxabicyclo[3.2.1]octane,endo

Structural Information

Molecular Formula
C8H13BrO
SMILES
C1C[C@H]2C[C@@H]1CO[C@H]2CBr
InChI
InChI=1S/C8H13BrO/c9-4-8-7-2-1-6(3-7)5-10-8/h6-8H,1-5H2/t6-,7+,8+/m1/s1
InChIKey
SFZJDGUXOPWOMO-CSMHCCOUSA-N
Compound name
(1S,2R,5R)-2-(bromomethyl)-3-oxabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.01498 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.02226 142.3
[M+Na]+ 227.00420 152.1
[M-H]- 203.00770 147.9
[M+NH4]+ 222.04880 167.0
[M+K]+ 242.97814 143.3
[M+H-H2O]+ 187.01224 143.9
[M+HCOO]- 249.01318 158.9
[M+CH3COO]- 263.02883 182.1
[M+Na-2H]- 224.98965 149.4
[M]+ 204.01443 158.5
[M]- 204.01553 158.5
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.