CID 101600

Silicic acid (h6si2o7), hexakis(2-ethylbutyl) ester

Structural Information

Molecular Formula
C36H78O7Si2
SMILES
CCC(C)CCO[Si](OCCC(C)CC)(OCCC(C)CC)O[Si](OCCC(C)CC)(OCCC(C)CC)OCCC(C)CC
InChI
InChI=1S/C36H78O7Si2/c1-13-31(7)19-25-37-44(38-26-20-32(8)14-2,39-27-21-33(9)15-3)43-45(40-28-22-34(10)16-4,41-29-23-35(11)17-5)42-30-24-36(12)18-6/h31-36H,13-30H2,1-12H3
InChIKey
YLICFGVKGAMFNE-UHFFFAOYSA-N
Compound name
tris(3-methylpentyl) tris(3-methylpentoxy)silyl silicate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

678.5286 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 679.535876 269.0
[M+Na]+ 701.517818 273.2
[M-H]- 677.521324 264.1
[M+NH4]+ 696.562423 282.1
[M+K]+ 717.491758 280.6
[M+H-H2O]+ 661.525860 268.6
[M+HCOO]- 723.526801 264.7
[M+CH3COO]- 737.542451 278.0
[M+Na-2H]- 699.503266 253.5
[M]+ 678.52805142 274.0
[M]- 678.52914858 274.0
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.