CID 44146081

Dtxsid401162350

Structural Information

Molecular Formula
C52H92O4Sn
SMILES
CCCCCCCC[Sn](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)(OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)CCCCCCCC
InChI
InChI=1S/2C18H30O2.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2*1-3-5-7-8-6-4-2;/h2*3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20);2*1,3-8H2,2H3;/q;;;;+2/p-2/b2*4-3-,7-6-,10-9-;;;
InChIKey
USAUKSQBQLVJQY-VMTDMSJFSA-L
Compound name
[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-dioctylstannyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

900.60175 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 901.60903 315.7
[M+Na]+ 923.59097 322.2
[M-H]- 899.59447 300.9
[M+NH4]+ 918.63557 321.3
[M+K]+ 939.56491 329.0
[M+H-H2O]+ 883.59901 312.7
[M+HCOO]- 945.59995 320.9
[M+CH3COO]- 959.61560 304.0
[M+Na-2H]- 921.57642 294.5
[M]+ 900.60120 313.9
[M]- 900.60230 313.9
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

No patent data available for this compound.