CID 139596097

Ns00060643

Structural Information

Molecular Formula
C46H78O12Sn
SMILES
CCCCCCCCCCOC(=O)C=CC(=O)O[Sn](OC(=O)/C=C\C(=O)OCCCCCCCCCC)(OC(=O)/C=C\C(=O)OCCCCCCCCCC)CCCC
InChI
InChI=1S/3C14H24O4.C4H9.Sn/c3*1-2-3-4-5-6-7-8-9-12-18-14(17)11-10-13(15)16;1-3-4-2;/h3*10-11H,2-9,12H2,1H3,(H,15,16);1,3-4H2,2H3;/q;;;;+3/p-3/b2*11-10-;;;
InChIKey
MPVYEXRIRIBRHN-YFQJWWFYSA-K
Compound name
4-O-[butyl-bis[[(Z)-4-decoxy-4-oxobut-2-enoyl]oxy]stannyl] 1-O-decyl but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

942.45154 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 943.458816 319.1
[M+Na]+ 965.440758 325.0
[M-H]- 941.444264 318.5
[M+NH4]+ 960.485363 337.6
[M+K]+ 981.414698 330.1
[M+H-H2O]+ 925.448800 320.2
[M+HCOO]- 987.449741 317.0
[M+CH3COO]- 1001.465391 301.0
[M+Na-2H]- 963.426206 300.0
[M]+ 942.45099142 322.5
[M]- 942.45208858 322.5
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

No patent data available for this compound.