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
1
Annotation Hits

0
References

2
Patents

800.4249 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 801.43218 276.7
[M+Na]+ 823.41412 277.6
[M+NH4]+ 818.45872 281.3
[M+K]+ 839.38806 278.8
[M-H]- 799.41762 266.2
[M+Na-2H]- 821.39957 276.0
[M]+ 800.42435 274.9
[M]- 800.42545 274.9
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