CID 44154054

84029-76-5

Structural Information

Molecular Formula
C60H112O8Sn
SMILES
CCCCCCCCCCCCCCOC(=O)/C=C\C(=O)O[Sn](OC(=O)/C=C\C(=O)OCCCCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC
InChI
InChI=1S/2C18H32O4.2C12H25.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-18(21)15-14-17(19)20;2*1-3-5-7-9-11-12-10-8-6-4-2;/h2*14-15H,2-13,16H2,1H3,(H,19,20);2*1,3-12H2,2H3;/q;;;;+2/p-2/b2*15-14-;;;
InChIKey
LYJOPYRQEYEMMH-POUCYOBESA-L
Compound name
4-O-[didodecyl-[(Z)-4-oxo-4-tetradecoxybut-2-enoyl]oxystannyl] 1-O-tetradecyl (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1080.7379 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1081.7452 340.5
[M+Na]+ 1103.7271 339.5
[M+NH4]+ 1098.7717 344.5
[M+K]+ 1119.7011 344.4
[M-H]- 1079.7306 323.5
[M+Na-2H]- 1101.7126 333.5
[M]+ 1080.7374 337.3
[M]- 1080.7384 337.3
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.