CID 11032907

52103-12-5

Structural Information

Molecular Formula

C₈H₁₅IO₂

SMILES

C1CCOC(C1)OCCCI

InChI

InChI=1S/C8H15IO2/c9-5-3-7-11-8-4-1-2-6-10-8/h8H,1-7H2

InChIKey

BOUGTWGUWOJILO-UHFFFAOYSA-N

Compound name

2-(3-iodopropoxy)oxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 92
Patents: 270.0117 Da
Monoisotopic Mass: 2.4
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]+	271.01898	147.0
[M+Na]+	293.00092	144.4
[M-H]-	269.00442	142.9
[M+NH4]+	288.04552	161.0
[M+K]+	308.97486	150.8
[M+H-H2O]+	253.00896	137.4
[M+HCOO]-	315.00990	161.7
[M+CH3COO]-	329.02555	185.1
[M+Na-2H]-	290.98637	140.7
[M]+	270.01115	143.2
[M]-	270.01225	143.2

Literature stripe

literature stripe

Patent stripe

patents stripe