CID 116922

Tri(stearoyloxy)propoxysilane

Structural Information

Molecular Formula
C57H112O7Si
SMILES
CCCCCCCCCCCCCCCCCC(=O)O[Si](OCCC)(OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C57H112O7Si/c1-5-9-12-15-18-21-24-27-30-33-36-39-42-45-48-51-55(58)62-65(61-54-8-4,63-56(59)52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-6-2)64-57(60)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-7-3/h5-54H2,1-4H3
InChIKey
NSKACRAMNAVEAY-UHFFFAOYSA-N
Compound name
[di(octadecanoyloxy)-propoxysilyl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

936.81775 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 937.82503 329.4
[M+Na]+ 959.80697 330.7
[M-H]- 935.81047 312.2
[M+NH4]+ 954.85157 337.0
[M+K]+ 975.78091 342.0
[M+H-H2O]+ 919.81501 327.2
[M+HCOO]- 981.81595 326.4
[M+CH3COO]- 995.83160 322.7
[M+Na-2H]- 957.79242 305.3
[M]+ 936.81720 333.2
[M]- 936.81830 333.2
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