CID 165845383

2757961-41-2

Structural Information

Molecular Formula
C9H15BrO
SMILES
C1[C@@H]2CC(C[C@H]1COC2)CBr
InChI
InChI=1S/C9H15BrO/c10-4-7-1-8-3-9(2-7)6-11-5-8/h7-9H,1-6H2/t7?,8-,9+
InChIKey
CURNSSCLLQAYPU-CBLAIPOGSA-N
Compound name
(1R,5S)-7-(bromomethyl)-3-oxabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.03062 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.03790 140.4
[M+Na]+ 241.01984 142.4
[M+NH4]+ 236.06444 146.9
[M+K]+ 256.99378 141.8
[M-H]- 217.02334 142.2
[M+Na-2H]- 239.00529 140.9
[M]+ 218.03007 140.0
[M]- 218.03117 140.0
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.