CID 44152168

108537-06-0

Structural Information

Molecular Formula
C42H76O8Sn
SMILES
CCCCCCCC[Sn](OC(=O)/C=C\C(=O)OC(CCCCCCC)C)(OC(=O)/C=C\C(=O)OC(CCCCCCC)C)CCCCCCCC
InChI
InChI=1S/2C13H22O4.2C8H17.Sn/c2*1-3-4-5-6-7-8-11(2)17-13(16)10-9-12(14)15;2*1-3-5-7-8-6-4-2;/h2*9-11H,3-8H2,1-2H3,(H,14,15);2*1,3-8H2,2H3;/q;;;;+2/p-2/b2*10-9-;;;
InChIKey
PQZLYPKQMIVBCY-BGSQTJHASA-L
Compound name
1-O-nonan-2-yl 4-O-[[(Z)-4-nonan-2-yloxy-4-oxobut-2-enoyl]oxy-dioctylstannyl] (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

828.45624 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 829.46352 284.1
[M+Na]+ 851.44546 284.7
[M+NH4]+ 846.49006 290.2
[M+K]+ 867.41940 286.4
[M-H]- 827.44896 275.4
[M+Na-2H]- 849.43091 283.3
[M]+ 828.45569 282.9
[M]- 828.45679 282.9
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.