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 185.7
[M+Na]+ 381.18562 194.0
[M-H]- 357.18912 185.6
[M+NH4]+ 376.23022 201.7
[M+K]+ 397.15956 186.2
[M+H-H2O]+ 341.19366 172.9
[M+HCOO]- 403.19460 187.6
[M+CH3COO]- 417.21025 192.7
[M+Na-2H]- 379.17107 195.4
[M]+ 358.19585 186.3
[M]- 358.19695 186.3
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