CID 16684533

Bis(myristoyloxy)dioctylstannane

Structural Information

Molecular Formula
C44H88O4Sn
SMILES
CCCCCCCCCCCCCC(=O)O[Sn](CCCCCCCC)(CCCCCCCC)OC(=O)CCCCCCCCCCCCC
InChI
InChI=1S/2C14H28O2.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;2*1-3-5-7-8-6-4-2;/h2*2-13H2,1H3,(H,15,16);2*1,3-8H2,2H3;/q;;;;+2/p-2
InChIKey
BLHUPIVWFSPGQO-UHFFFAOYSA-L
Compound name
[dioctyl(tetradecanoyloxy)stannyl] tetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

800.57043 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 801.57771 303.0
[M+Na]+ 823.55965 307.2
[M-H]- 799.56315 286.3
[M+NH4]+ 818.60425 306.9
[M+K]+ 839.53359 313.6
[M+H-H2O]+ 783.56769 300.5
[M+HCOO]- 845.56863 306.1
[M+CH3COO]- 859.58428 289.9
[M+Na-2H]- 821.54510 281.8
[M]+ 800.56988 302.2
[M]- 800.57098 302.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe