CID 139597222

Ns00056461

Structural Information

Molecular Formula
C40H66O12Sn
SMILES
CCCCCCCCOC(=O)C=CC(=O)O[Sn](OC(=O)/C=C\C(=O)OCCCCCCCC)(OC(=O)/C=C\C(=O)OCCCCCCCC)CCCC
InChI
InChI=1S/3C12H20O4.C4H9.Sn/c3*1-2-3-4-5-6-7-10-16-12(15)9-8-11(13)14;1-3-4-2;/h3*8-9H,2-7,10H2,1H3,(H,13,14);1,3-4H2,2H3;/q;;;;+3/p-3/b2*9-8-;;;
InChIKey
TWRHTSNKOKOGCZ-WFTKVDHJSA-K
Compound name
4-O-[butyl-bis[[(Z)-4-octoxy-4-oxobut-2-enoyl]oxy]stannyl] 1-O-octyl but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

858.3576 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 859.364876 300.5
[M+Na]+ 881.346818 307.3
[M-H]- 857.350324 302.1
[M+NH4]+ 876.391423 319.1
[M+K]+ 897.320758 310.1
[M+H-H2O]+ 841.354860 302.2
[M+HCOO]- 903.355801 300.8
[M+CH3COO]- 917.371451 285.9
[M+Na-2H]- 879.332266 283.7
[M]+ 858.35705142 303.0
[M]- 858.35814858 303.0
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.