CID 16684288

Einecs 256-113-2

Structural Information

Molecular Formula
C40H78O5Sn2
SMILES
CCCCCCCC/C=C/CCCCCCCC(=O)O[Sn](C)(C)O[Sn](C)(C)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/2C18H34O2.4CH3.O.2Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;;;;;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);4*1H3;;;/q;;;;;;;2*+1/p-2/b10-9+;10-9-;;;;;;;
InChIKey
PSPGDGGOJDGOST-GIQUDXMJSA-L
Compound name
[[dimethyl-[(E)-octadec-9-enoyl]oxystannyl]oxy-dimethylstannyl] (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

878.38934 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 879.39662 308.1
[M+Na]+ 901.37856 313.7
[M-H]- 877.38206 297.5
[M+NH4]+ 896.42316 315.5
[M+K]+ 917.35250 319.4
[M+H-H2O]+ 861.38660 304.1
[M+HCOO]- 923.38754 314.6
[M+CH3COO]- 937.40319 285.1
[M+Na-2H]- 899.36401 287.4
[M]+ 878.38879 306.1
[M]- 878.38989 306.1
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.