CID 4524693

Pentacyclo(9.5.1.13,9.15,15.17,13)octasiloxane, octakis(2-methylpropyl)-

Structural Information

Molecular Formula
C32H72O12Si8
SMILES
CC(C)C[Si]12O[Si]3(O[Si]4(O[Si](O1)(O[Si]5(O[Si](O2)(O[Si](O3)(O[Si](O4)(O5)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C
InChI
InChI=1S/C32H72O12Si8/c1-25(2)17-45-33-46(18-26(3)4)36-49(21-29(9)10)38-47(34-45,19-27(5)6)40-51(23-31(13)14)41-48(35-45,20-28(7)8)39-50(37-46,22-30(11)12)43-52(42-49,44-51)24-32(15)16/h25-32H,17-24H2,1-16H3
InChIKey
GPJIUZGXKCEIEO-UHFFFAOYSA-N
Compound name
1,3,5,7,9,11,13,15-octakis(2-methylpropyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

872.3178 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 873.32508 311.5
[M+Na]+ 895.30702 311.5
[M-H]- 871.31052 311.5
[M+NH4]+ 890.35162 311.5
[M+K]+ 911.28096 311.5
[M+H-H2O]+ 855.31506 311.5
[M+HCOO]- 917.31600 311.5
[M+CH3COO]- 931.33165 311.5
[M+Na-2H]- 893.29247 311.5
[M]+ 872.31725 311.5
[M]- 872.31835 311.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe