CID 87831

Dimethylsilylene distearate

Structural Information

Molecular Formula
C38H76O4Si
SMILES
CCCCCCCCCCCCCCCCCC(=O)O[Si](C)(C)OC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C38H76O4Si/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37(39)41-43(3,4)42-38(40)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-36H2,1-4H3
InChIKey
IAJABPQCIRWNLU-UHFFFAOYSA-N
Compound name
[dimethyl(octadecanoyloxy)silyl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

624.5513 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 625.55858 264.5
[M+Na]+ 647.54052 269.3
[M-H]- 623.54402 250.0
[M+NH4]+ 642.58512 267.9
[M+K]+ 663.51446 273.0
[M+H-H2O]+ 607.54856 262.9
[M+HCOO]- 669.54950 270.1
[M+CH3COO]- 683.56515 270.2
[M+Na-2H]- 645.52597 247.5
[M]+ 624.55075 266.1
[M]- 624.55185 266.1
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