CID 16684352

69239-37-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

828.45624 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 829.46352 283.5
[M+Na]+ 851.44546 284.2
[M+NH4]+ 846.49006 288.0
[M+K]+ 867.41940 285.7
[M-H]- 827.44896 272.3
[M+Na-2H]- 849.43091 282.0
[M]+ 828.45569 281.5
[M]- 828.45679 281.5
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