CID 44150559

84012-66-8

Structural Information

Molecular Formula
C40H72O8Sn
SMILES
CCCCCCCCCCCC[Sn](OC(=O)/C=C\C(=O)OCCCC)(OC(=O)/C=C\C(=O)OCCCC)CCCCCCCCCCCC
InChI
InChI=1S/2C12H25.2C8H12O4.Sn/c2*1-3-5-7-9-11-12-10-8-6-4-2;2*1-2-3-6-12-8(11)5-4-7(9)10;/h2*1,3-12H2,2H3;2*4-5H,2-3,6H2,1H3,(H,9,10);/q;;;;+2/p-2/b;;2*5-4-;
InChIKey
OWBJOBPQBKLHSD-CTQQQIPUSA-L
Compound name
4-O-[[(Z)-4-butoxy-4-oxobut-2-enoyl]oxy-didodecylstannyl] 1-O-butyl (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

17
Patents

800.4249 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 801.432176 291.0
[M+Na]+ 823.414118 297.2
[M-H]- 799.417624 284.7
[M+NH4]+ 818.458723 302.5
[M+K]+ 839.388058 300.8
[M+H-H2O]+ 783.422160 291.0
[M+HCOO]- 845.423101 294.1
[M+CH3COO]- 859.438751 281.8
[M+Na-2H]- 821.399566 273.3
[M]+ 800.42435142 291.1
[M]- 800.42544858 291.1
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

patents stripe