CID 11821195

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

Structural Information

Molecular Formula
C7H13IO2
SMILES
CC1(OCC(CO1)CI)C
InChI
InChI=1S/C7H13IO2/c1-7(2)9-4-6(3-8)5-10-7/h6H,3-5H2,1-2H3
InChIKey
ZMABXOQAFQJFHK-UHFFFAOYSA-N
Compound name
5-(iodomethyl)-2,2-dimethyl-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

255.99603 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.00331 140.5
[M+Na]+ 278.98525 140.3
[M-H]- 254.98875 138.1
[M+NH4]+ 274.02985 156.2
[M+K]+ 294.95919 148.0
[M+H-H2O]+ 238.99329 132.4
[M+HCOO]- 300.99423 154.7
[M+CH3COO]- 315.00988 183.0
[M+Na-2H]- 276.97070 136.4
[M]+ 255.99548 137.7
[M]- 255.99658 137.7
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

patents stripe