CID 134690848

3-(bromomethyl)-2,8-dioxaspiro[4.5]decane

Structural Information

Molecular Formula
C9H15BrO2
SMILES
C1COCCC12CC(OC2)CBr
InChI
InChI=1S/C9H15BrO2/c10-6-8-5-9(7-12-8)1-3-11-4-2-9/h8H,1-7H2
InChIKey
HRBUSNKZOLNKRE-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-2,8-dioxaspiro[4.5]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.02554 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.03282 149.5
[M+Na]+ 257.01476 150.4
[M+NH4]+ 252.05936 156.2
[M+K]+ 272.98870 150.6
[M-H]- 233.01826 152.7
[M+Na-2H]- 255.00021 151.2
[M]+ 234.02499 149.4
[M]- 234.02609 149.4
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.