CID 3077361

Silane, dimethyl(1-methylethyl)((4-(4-propyl-2,6,7-trioxabicyclo(2.2.2)oct-1-yl)phenyl)ethynyl)-

Structural Information

Molecular Formula
C21H30O3Si
SMILES
CCCC12COC(OC1)(OC2)C3=CC=C(C=C3)C#C[Si](C)(C)C(C)C
InChI
InChI=1S/C21H30O3Si/c1-6-12-20-14-22-21(23-15-20,24-16-20)19-9-7-18(8-10-19)11-13-25(4,5)17(2)3/h7-10,17H,6,12,14-16H2,1-5H3
InChIKey
BDRMWEFKHAVVMT-UHFFFAOYSA-N
Compound name
dimethyl-propan-2-yl-[2-[4-(4-propyl-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

0
Patents

358.1964 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.20368 187.3
[M+Na]+ 381.18562 195.2
[M-H]- 357.18912 187.1
[M+NH4]+ 376.23022 203.2
[M+K]+ 397.15956 187.9
[M+H-H2O]+ 341.19366 174.8
[M+HCOO]- 403.19460 188.2
[M+CH3COO]- 417.21025 194.0
[M+Na-2H]- 379.17107 195.8
[M]+ 358.19585 187.3
[M]- 358.19695 187.3
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

No patent data available for this compound.