CID 3077360

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

Structural Information

Molecular Formula
C20H28O3Si
SMILES
CCCC12COC(OC1)(OC2)C3=CC=C(C=C3)C#C[Si](C)(C)CC
InChI
InChI=1S/C20H28O3Si/c1-5-12-19-14-21-20(22-15-19,23-16-19)18-9-7-17(8-10-18)11-13-24(3,4)6-2/h7-10H,5-6,12,14-16H2,1-4H3
InChIKey
AOHIVPPYPOMLRP-UHFFFAOYSA-N
Compound name
ethyl-dimethyl-[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

344.1808 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.18808 181.6
[M+Na]+ 367.17002 190.4
[M-H]- 343.17352 181.8
[M+NH4]+ 362.21462 198.2
[M+K]+ 383.14396 182.8
[M+H-H2O]+ 327.17806 169.1
[M+HCOO]- 389.17900 183.9
[M+CH3COO]- 403.19465 189.0
[M+Na-2H]- 365.15547 191.8
[M]+ 344.18025 182.1
[M]- 344.18135 182.1
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.