CID 178988

5-(2-bromoethyl)-2,2-dimethyl-1,3-dioxane

Structural Information

Molecular Formula
C8H15BrO2
SMILES
CC1(OCC(CO1)CCBr)C
InChI
InChI=1S/C8H15BrO2/c1-8(2)10-5-7(3-4-9)6-11-8/h7H,3-6H2,1-2H3
InChIKey
QFLUXIUZRCNNHY-UHFFFAOYSA-N
Compound name
5-(2-bromoethyl)-2,2-dimethyl-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

222.02554 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.03282 142.0
[M+Na]+ 245.01476 144.4
[M+NH4]+ 240.05936 148.3
[M+K]+ 260.98870 143.5
[M-H]- 221.01826 144.7
[M+Na-2H]- 243.00021 144.6
[M]+ 222.02499 142.1
[M]- 222.02609 142.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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