PubChemLite - Octadecamethylcyclononasiloxane (C18H54O9Si9)

Structural Information

Molecular Formula

SMILES

C[Si]1(O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)C

InChI

InChI=1S/C18H54O9Si9/c1-28(2)19-29(3,4)21-31(7,8)23-33(11,12)25-35(15,16)27-36(17,18)26-34(13,14)24-32(9,10)22-30(5,6)20-28/h1-18H3

InChIKey

ISXOGOLHEGHGQF-UHFFFAOYSA-N

Compound name

2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18-octadecamethyl-1,3,5,7,9,11,13,15,17-nonaoxa-2,4,6,8,10,12,14,16,18-nonasilacyclooctadecane

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]+	667.17638	181.9
[M+Na]+	689.15832	191.9
[M-H]-	665.16182	190.6
[M+NH4]+	684.20292	191.7
[M+K]+	705.13226	205.8
[M+H-H2O]+	649.16636	188.9
[M+HCOO]-	711.16730	184.4
[M+CH3COO]-	725.18295	244.3
[M+Na-2H]-	687.14377	195.3
[M]+	666.16855	196.0
[M]-	666.16965	196.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

667.17638

181.9

[M+Na]+

689.15832

191.9

[M-H]-

665.16182

190.6

[M+NH4]+

684.20292

191.7

[M+K]+

705.13226

205.8

[M+H-H2O]+

649.16636

188.9

[M+HCOO]-

711.16730

184.4

[M+CH3COO]-

725.18295

244.3

[M+Na-2H]-

687.14377

195.3

[M]+

666.16855

196.0

[M]-

666.16965

196.0

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

Octadecamethylcyclononasiloxane

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe