CID 91666479

Dtxsid40887771

Structural Information

Molecular Formula
C58H132O22Si8
SMILES
CCC(C)O[Si]1(O[Si](O[Si](O1)(OC(C)CC)O[Si](OC(C)CC)(OC(C)CC)O[Si](C)(O[Si](OC(C)CC)(OC(C)CC)OC(C)CC)O[Si](OC(C)CC)(OC(C)CC)OC(C)CC)(C)O[Si](OC(C)CC)(OC(C)CC)OC(C)CC)OC(C)CC
InChI
InChI=1S/C58H132O22Si8/c1-31-45(15)59-83(60-46(16)32-2,61-47(17)33-3)73-81(29,74-84(62-48(18)34-4,63-49(19)35-5)64-50(20)36-6)76-86(68-54(24)40-10,69-55(25)41-11)79-88(72-58(28)44-14)78-82(30,77-87(80-88,70-56(26)42-12)71-57(27)43-13)75-85(65-51(21)37-7,66-52(22)38-8)67-53(23)39-9/h45-58H,31-44H2,1-30H3
InChIKey
GGWCIRAEZJXPKK-UHFFFAOYSA-N
Compound name
tributan-2-yl [[di(butan-2-yloxy)-[[2,4,4-tri(butan-2-yloxy)-6-methyl-6-tri(butan-2-yloxy)silyloxy-1,3,5,2,4,6-trioxatrisilinan-2-yl]oxy]silyl]oxy-methyl-tri(butan-2-yloxy)silyloxysilyl] silicate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1404.7365 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1405.7438 285.3
[M+Na]+ 1427.7257 285.0
[M-H]- 1403.7292 294.4
[M+NH4]+ 1422.7703 287.6
[M+K]+ 1443.6997 264.8
[M+H-H2O]+ 1387.7338 273.2
[M+HCOO]- 1449.7347 288.6
[M+CH3COO]- 1463.7504 358.9
[M+Na-2H]- 1425.7112 323.5
[M]+ 1404.7360 301.7
[M]- 1404.7370 301.7
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.