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]+ 219.037896 143.8
[M+Na]+ 241.019838 151.9
[M-H]- 217.023344 148.9
[M+NH4]+ 236.064443 166.0
[M+K]+ 256.993778 143.0
[M+H-H2O]+ 201.027880 144.6
[M+HCOO]- 263.028821 157.9
[M+CH3COO]- 277.044471 185.3
[M+Na-2H]- 239.005286 151.8
[M]+ 218.03007142 158.3
[M]- 218.03116858 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.