CID 44149258

Dtxsid401101263

Structural Information

Molecular Formula
C27H40O12Sn
SMILES
CCCCCCCCCCCC[Sn](OC(=O)/C=C\C(=O)OC)(OC(=O)/C=C\C(=O)OC)OC(=O)/C=C\C(=O)OC
InChI
InChI=1S/C12H25.3C5H6O4.Sn/c1-3-5-7-9-11-12-10-8-6-4-2;3*1-9-5(8)3-2-4(6)7;/h1,3-12H2,2H3;3*2-3H,1H3,(H,6,7);/q;;;;+3/p-3/b;3*3-2-;
InChIKey
PHXQJWFRWVXDMN-MOUJQJQMSA-K
Compound name
4-O-[dodecyl-bis[[(Z)-4-methoxy-4-oxobut-2-enoyl]oxy]stannyl] 1-O-methyl (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

676.1542 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 677.16148 236.6
[M+Na]+ 699.14342 238.5
[M+NH4]+ 694.18802 245.1
[M+K]+ 715.11736 239.0
[M-H]- 675.14692 237.0
[M+Na-2H]- 697.12887 241.9
[M]+ 676.15365 238.1
[M]- 676.15475 238.1
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.