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 148.8
[M+Na]+ 257.01476 157.4
[M-H]- 233.01826 157.2
[M+NH4]+ 252.05936 171.3
[M+K]+ 272.98870 150.1
[M+H-H2O]+ 217.02280 150.3
[M+HCOO]- 279.02374 164.8
[M+CH3COO]- 293.03939 183.3
[M+Na-2H]- 255.00021 156.0
[M]+ 234.02499 163.8
[M]- 234.02609 163.8
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.