PubChemLite - Octakis(1-methylpropoxy)cyclotetrasiloxane (C32H72O12Si4)

Structural Information

Molecular Formula

SMILES

CCC(C)O[Si]1(O[Si](O[Si](O[Si](O1)(OC(C)CC)OC(C)CC)(OC(C)CC)OC(C)CC)(OC(C)CC)OC(C)CC)OC(C)CC

InChI

InChI=1S/C32H72O12Si4/c1-17-25(9)33-45(34-26(10)18-2)41-46(35-27(11)19-3,36-28(12)20-4)43-48(39-31(15)23-7,40-32(16)24-8)44-47(42-45,37-29(13)21-5)38-30(14)22-6/h25-32H,17-24H2,1-16H3

InChIKey

TZCRJHQZTQUINL-UHFFFAOYSA-N

Compound name

2,2,4,4,6,6,8,8-octa(butan-2-yloxy)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	761.41738	324.9
[M+Na]+	783.39932	330.3
[M-H]-	759.40282	328.4
[M+NH4]+	778.44392	335.0
[M+K]+	799.37326	331.4
[M+H-H2O]+	743.40736	331.1
[M+HCOO]-	805.40830	328.7
[M+CH3COO]-	819.42395	265.1
[M+Na-2H]-	781.38477	320.5
[M]+	760.40955	328.0
[M]-	760.41065	328.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

761.41738

324.9

[M+Na]+

783.39932

330.3

[M-H]-

759.40282

328.4

[M+NH4]+

778.44392

335.0

[M+K]+

799.37326

331.4

[M+H-H2O]+

743.40736

331.1

[M+HCOO]-

805.40830

328.7

[M+CH3COO]-

819.42395

265.1

[M+Na-2H]-

781.38477

320.5

[M]+

760.40955

328.0

[M]-

760.41065

328.0

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Octakis(1-methylpropoxy)cyclotetrasiloxane

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe