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 143.8
[M+Na]+ 241.01984 151.9
[M-H]- 217.02334 148.9
[M+NH4]+ 236.06444 166.0
[M+K]+ 256.99378 143.0
[M+H-H2O]+ 201.02788 144.6
[M+HCOO]- 263.02882 157.9
[M+CH3COO]- 277.04447 185.3
[M+Na-2H]- 239.00529 151.8
[M]+ 218.03007 158.3
[M]- 218.03117 158.3
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.