CID 165366656

84029-81-2

Structural Information

Molecular Formula
C36H58O12Sn
SMILES
CCCCCCCCCCCC[Sn](OC(=O)/C=C\C(=O)OCCCC)(OC(=O)/C=C\C(=O)OCCCC)OC(=O)/C=C\C(=O)OCCCC
InChI
InChI=1S/C12H25.3C8H12O4.Sn/c1-3-5-7-9-11-12-10-8-6-4-2;3*1-2-3-6-12-8(11)5-4-7(9)10;/h1,3-12H2,2H3;3*4-5H,2-3,6H2,1H3,(H,9,10);/q;;;;+3/p-3/b;3*5-4-;
InChIKey
LKMVGFXFBSAZDT-MCTJRNESSA-K
Compound name
4-O-[bis[[(Z)-4-butoxy-4-oxobut-2-enoyl]oxy]-dodecylstannyl] 1-O-butyl (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

802.29504 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 803.30232 287.6
[M+Na]+ 825.28426 295.2
[M-H]- 801.28776 290.8
[M+NH4]+ 820.32886 306.3
[M+K]+ 841.25820 296.3
[M+H-H2O]+ 785.29230 289.7
[M+HCOO]- 847.29324 289.5
[M+CH3COO]- 861.30889 275.5
[M+Na-2H]- 823.26971 272.4
[M]+ 802.29449 289.7
[M]- 802.29559 289.7
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.