CID 528775

Cycloheneicosasiloxane, dotetracontamethyl

Structural Information

Molecular Formula
C42H126O21Si21
SMILES
C[Si]1(O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](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)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)C
InChI
InChI=1S/C42H126O21Si21/c1-64(2)43-65(3,4)45-67(7,8)47-69(11,12)49-71(15,16)51-73(19,20)53-75(23,24)55-77(27,28)57-79(31,32)59-81(35,36)61-83(39,40)63-84(41,42)62-82(37,38)60-80(33,34)58-78(29,30)56-76(25,26)54-74(21,22)52-72(17,18)50-70(13,14)48-68(9,10)46-66(5,6)44-64/h1-42H3
InChIKey
AXCIWEDVVHLSKG-UHFFFAOYSA-N
Compound name
2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22,24,24,26,26,28,28,30,30,32,32,34,34,36,36,38,38,40,40,42,42-dotetracontamethyl-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosaoxa-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42-henicosasilacyclodotetracontane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1554.3947 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1555.401976 198.0
[M+Na]+ 1577.383918 193.8
[M-H]- 1553.387424 200.6
[M+NH4]+ 1572.428523 198.2
[M+K]+ 1593.357858 181.6
[M+H-H2O]+ 1537.391960 204.5
[M+HCOO]- 1599.392901 200.9
[M+CH3COO]- 1613.408551 204.3
[M+Na-2H]- 1575.369366 223.5
[M]+ 1554.39415142 201.6
[M]- 1554.39524858 201.6
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.