CID 2763045

2-(iodomethyl)-1,4-dioxane

Structural Information

Molecular Formula
C5H9IO2
SMILES
C1COC(CO1)CI
InChI
InChI=1S/C5H9IO2/c6-3-5-4-7-1-2-8-5/h5H,1-4H2
InChIKey
WWQGIZUTLRNTBG-UHFFFAOYSA-N
Compound name
2-(iodomethyl)-1,4-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

227.96474 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.972016 133.7
[M+Na]+ 250.953958 132.5
[M-H]- 226.957464 130.9
[M+NH4]+ 245.998563 148.2
[M+K]+ 266.927898 140.4
[M+H-H2O]+ 210.962000 124.9
[M+HCOO]- 272.962941 148.6
[M+CH3COO]- 286.978591 176.6
[M+Na-2H]- 248.939406 130.0
[M]+ 227.96419142 129.5
[M]- 227.96528858 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

literature stripe

Patent stripe

patents stripe