CID 16684206

29736-75-2

Structural Information

Molecular Formula

C₆H₁₂O₆Sb₂

SMILES

C1CO[Sb]2OCCO[Sb](O1)OCCO2

InChI

InChI=1S/3C2H4O2.2Sb/c3*3-1-2-4;;/h3*1-2H2;;/q3*-2;2*+3

InChIKey

JEPVJCOLPSALKN-UHFFFAOYSA-N

Compound name

2,5,7,10,11,14-hexaoxa-1,6-distibabicyclo[4.4.4]tetradecane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 85
Patents: 421.871 Da
Monoisotopic Mass: None
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]+	422.87828	176.3
[M+Na]+	444.86022	175.8
[M-H]-	420.86372	160.8
[M+NH4]+	439.90482	183.4
[M+K]+	460.83416	184.8
[M+H-H2O]+	404.86826	179.5
[M+HCOO]-	466.86920	174.3
[M+CH3COO]-	480.88485	179.5
[M+Na-2H]-	442.84567	186.4
[M]+	421.87045	177.5
[M]-	421.87155	177.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe