CID 3077362

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

Structural Information

Molecular Formula
C21H28O3Si
SMILES
CCCC12COC(OC1)(OC2)C3=CC=C(C=C3)C#C[Si](C)(C)CC=C
InChI
InChI=1S/C21H28O3Si/c1-5-12-20-15-22-21(23-16-20,24-17-20)19-9-7-18(8-10-19)11-14-25(3,4)13-6-2/h6-10H,2,5,12-13,15-17H2,1,3-4H3
InChIKey
ZAKOJRCCVOAJNW-UHFFFAOYSA-N
Compound name
dimethyl-prop-2-enyl-[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

1
Patents

356.1808 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.18808 185.5
[M+Na]+ 379.17002 194.1
[M-H]- 355.17352 185.4
[M+NH4]+ 374.21462 201.6
[M+K]+ 395.14396 185.7
[M+H-H2O]+ 339.17806 172.8
[M+HCOO]- 401.17900 187.6
[M+CH3COO]- 415.19465 192.5
[M+Na-2H]- 377.15547 195.2
[M]+ 356.18025 185.6
[M]- 356.18135 185.6
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