CID 10636020

1-iodo-3,6,9-trioxadecane

Structural Information

Molecular Formula
C7H15IO3
SMILES
COCCOCCOCCI
InChI
InChI=1S/C7H15IO3/c1-9-4-5-11-7-6-10-3-2-8/h2-7H2,1H3
InChIKey
DLGFZOSPWIUMKY-UHFFFAOYSA-N
Compound name
1-[2-(2-iodoethoxy)ethoxy]-2-methoxyethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

274.0066 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.01388 150.9
[M+Na]+ 296.99582 150.3
[M-H]- 272.99932 144.0
[M+NH4]+ 292.04042 166.5
[M+K]+ 312.96976 156.5
[M+H-H2O]+ 257.00386 141.9
[M+HCOO]- 319.00480 169.5
[M+CH3COO]- 333.02045 187.7
[M+Na-2H]- 294.98127 144.1
[M]+ 274.00605 154.1
[M]- 274.00715 154.1
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

patents stripe