CID 131585946

7-(bromomethyl)-6-oxaspiro[3.5]nonane

Structural Information

Molecular Formula
C9H15BrO
SMILES
C1CC2(C1)CCC(OC2)CBr
InChI
InChI=1S/C9H15BrO/c10-6-8-2-5-9(7-11-8)3-1-4-9/h8H,1-7H2
InChIKey
RQVHZQSCRLKNBQ-UHFFFAOYSA-N
Compound name
7-(bromomethyl)-6-oxaspiro[3.5]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.03062 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.03790 139.5
[M+Na]+ 241.01984 137.9
[M+NH4]+ 236.06444 143.4
[M+K]+ 256.99378 137.9
[M-H]- 217.02334 139.8
[M+Na-2H]- 239.00529 141.1
[M]+ 218.03007 137.4
[M]- 218.03117 137.4
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.