CID 165987509

2-(iodomethyl)-2,6,6-trimethyl-1,4-dioxane

Structural Information

Molecular Formula
C8H15IO2
SMILES
CC1(COCC(O1)(C)CI)C
InChI
InChI=1S/C8H15IO2/c1-7(2)5-10-6-8(3,4-9)11-7/h4-6H2,1-3H3
InChIKey
AJJJSTLURMHZLL-UHFFFAOYSA-N
Compound name
2-(iodomethyl)-2,6,6-trimethyl-1,4-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.0117 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.01898 142.4
[M+Na]+ 293.00092 142.7
[M-H]- 269.00442 140.3
[M+NH4]+ 288.04552 159.5
[M+K]+ 308.97486 150.5
[M+H-H2O]+ 253.00896 135.0
[M+HCOO]- 315.00990 156.4
[M+CH3COO]- 329.02555 185.6
[M+Na-2H]- 290.98637 139.1
[M]+ 270.01115 140.3
[M]- 270.01225 140.3
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.