CID 54592804

4-(iodomethyl)-1,3-dioxane

Structural Information

Molecular Formula
C5H9IO2
SMILES
C1COCOC1CI
InChI
InChI=1S/C5H9IO2/c6-3-5-1-2-7-4-8-5/h5H,1-4H2
InChIKey
GYIGHSHTOHPLOL-UHFFFAOYSA-N
Compound name
4-(iodomethyl)-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.96474 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.97202 133.7
[M+Na]+ 250.95396 132.5
[M-H]- 226.95746 130.9
[M+NH4]+ 245.99856 148.2
[M+K]+ 266.92790 140.4
[M+H-H2O]+ 210.96200 124.9
[M+HCOO]- 272.96294 148.6
[M+CH3COO]- 286.97859 176.6
[M+Na-2H]- 248.93941 130.0
[M]+ 227.96419 129.5
[M]- 227.96529 129.5
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.