CID 130582517

2-(bromomethyl)-1-oxaspiro[4.6]undecane

Structural Information

Molecular Formula
C11H19BrO
SMILES
C1CCCC2(CC1)CCC(O2)CBr
InChI
InChI=1S/C11H19BrO/c12-9-10-5-8-11(13-10)6-3-1-2-4-7-11/h10H,1-9H2
InChIKey
DNDWHUZYXKBGPU-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-1-oxaspiro[4.6]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.06194 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.06922 151.3
[M+Na]+ 269.05116 150.9
[M+NH4]+ 264.09576 157.6
[M+K]+ 285.02510 151.5
[M-H]- 245.05466 153.4
[M+Na-2H]- 267.03661 153.6
[M]+ 246.06139 150.8
[M]- 246.06249 150.8
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.