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]+ 679.53588 269.0
[M+Na]+ 701.51782 273.2
[M-H]- 677.52132 264.1
[M+NH4]+ 696.56242 282.1
[M+K]+ 717.49176 280.6
[M+H-H2O]+ 661.52586 268.6
[M+HCOO]- 723.52680 264.7
[M+CH3COO]- 737.54245 278.0
[M+Na-2H]- 699.50327 253.5
[M]+ 678.52805 274.0
[M]- 678.52915 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.