CID 16314

1-iododecane

Structural Information

Molecular Formula

C₁₀H₂₁I

SMILES

CCCCCCCCCCI

InChI

InChI=1S/C10H21I/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3

InChIKey

SKIDNYUZJPMKFC-UHFFFAOYSA-N

Compound name

1-iododecane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 3690
Patents: 268.0688 Da
Monoisotopic Mass: 6.3
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]+	269.07608	152.5
[M+Na]+	291.05802	150.9
[M-H]-	267.06152	145.2
[M+NH4]+	286.10262	168.6
[M+K]+	307.03196	155.1
[M+H-H2O]+	251.06606	143.7
[M+HCOO]-	313.06700	169.6
[M+CH3COO]-	327.08265	190.9
[M+Na-2H]-	289.04347	144.5
[M]+	268.06825	152.7
[M]-	268.06935	152.7

Literature stripe

literature stripe

Patent stripe

patents stripe