CID 15698033

1-iodo-2-(2-methoxyethoxy)ethane

Structural Information

Molecular Formula

C₅H₁₁IO₂

SMILES

COCCOCCI

InChI

InChI=1S/C5H11IO2/c1-7-4-5-8-3-2-6/h2-5H2,1H3

InChIKey

CJXAGOKSVZAZAI-UHFFFAOYSA-N

Compound name

1-(2-iodoethoxy)-2-methoxyethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 125
Patents: 229.98038 Da
Monoisotopic Mass: 1.0
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]+	230.98766	137.0
[M+Na]+	252.96960	137.3
[M-H]-	228.97310	130.6
[M+NH4]+	248.01420	154.4
[M+K]+	268.94354	143.7
[M+H-H2O]+	212.97764	128.7
[M+HCOO]-	274.97858	156.1
[M+CH3COO]-	288.99423	180.2
[M+Na-2H]-	250.95505	131.5
[M]+	229.97983	138.2
[M]-	229.98093	138.2

Literature stripe

literature stripe

Patent stripe

patents stripe