CID 165362842

Dtxsid901021866

Structural Information

Molecular Formula
C66H122O4Si
SMILES
CCCCCCCCC=CCCCCCCCCO[Si](C)(OCCCCCCCCC=CCCCCCCCC)OC1=C(C2=C(C(=C1C)C)OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C
InChI
InChI=1S/C66H122O4Si/c1-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-55-67-71(11,68-56-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-2)70-64-60(7)61(8)65-63(62(64)9)52-54-66(10,69-65)53-46-51-59(6)50-45-49-58(5)48-44-47-57(3)4/h26-29,57-59H,12-25,30-56H2,1-11H3
InChIKey
KHTGIJHVVCLOOG-UHFFFAOYSA-N
Compound name
methyl-bis(octadec-9-enoxy)-[[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]silane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1006.91125 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1007.9185 332.9
[M+Na]+ 1029.9005 338.8
[M-H]- 1005.9040 316.8
[M+NH4]+ 1024.9451 340.9
[M+K]+ 1045.8744 350.4
[M+H-H2O]+ 989.90851 334.0
[M+HCOO]- 1051.9095 340.9
[M+CH3COO]- 1065.9251 343.8
[M+Na-2H]- 1027.8859 310.2
[M]+ 1006.9107 337.0
[M]- 1006.9118 337.0
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.