CID 3077371

Silane, ((4-(4-hexyl-2,6,7-trioxabicyclo(2.2.2)oct-1-yl)phenyl)ethynyl)trimethyl-

Structural Information

Molecular Formula
C22H32O3Si
SMILES
CCCCCCC12COC(OC1)(OC2)C3=CC=C(C=C3)C#C[Si](C)(C)C
InChI
InChI=1S/C22H32O3Si/c1-5-6-7-8-14-21-16-23-22(24-17-21,25-18-21)20-11-9-19(10-12-20)13-15-26(2,3)4/h9-12H,5-8,14,16-18H2,1-4H3
InChIKey
MDWHBHIMCQKWHG-UHFFFAOYSA-N
Compound name
2-[4-(4-hexyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)phenyl]ethynyl-trimethylsilane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.21207 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.21935 194.7
[M+Na]+ 395.20129 205.1
[M+NH4]+ 390.24589 202.3
[M+K]+ 411.17523 190.9
[M-H]- 371.20479 189.8
[M+Na-2H]- 393.18674 191.7
[M]+ 372.21152 194.6
[M]- 372.21262 194.6
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.