CID 10636020

62999-96-6

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	275.01388	143.9
[M+Na]+	296.99582	146.1
[M+NH4]+	292.04042	146.8
[M+K]+	312.96976	143.7
[M-H]-	272.99932	136.7
[M+Na-2H]-	294.98127	134.7
[M]+	274.00605	140.9
[M]-	274.00715	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe