CID 3065690

108614-16-0

Structural Information

Molecular Formula
C21H30O3Si
SMILES
CCCCCC12COC(OC1)(OC2)C3=CC=C(C=C3)C#C[Si](C)(C)C
InChI
InChI=1S/C21H30O3Si/c1-5-6-7-13-20-15-22-21(23-16-20,24-17-20)19-10-8-18(9-11-19)12-14-25(2,3)4/h8-11H,5-7,13,15-17H2,1-4H3
InChIKey
GQOYBAHZFVZDEM-UHFFFAOYSA-N
Compound name
trimethyl-[2-[4-(4-pentyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)phenyl]ethynyl]silane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

358.1964 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.20368 190.7
[M+Na]+ 381.18562 201.3
[M+NH4]+ 376.23022 198.4
[M+K]+ 397.15956 187.3
[M-H]- 357.18912 185.9
[M+Na-2H]- 379.17107 187.9
[M]+ 358.19585 190.6
[M]- 358.19695 190.6
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

patents stripe