CID 3077369

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

Structural Information

Molecular Formula
C25H38O3Si
SMILES
CCCC12COC(OC1)(OC2)C3=CC=C(C=C3)C#C[Si](CCC)(CCC)CCC
InChI
InChI=1S/C25H38O3Si/c1-5-14-24-19-26-25(27-20-24,28-21-24)23-11-9-22(10-12-23)13-18-29(15-6-2,16-7-3)17-8-4/h9-12H,5-8,14-17,19-21H2,1-4H3
InChIKey
KIRVRVYNEANYEW-UHFFFAOYSA-N
Compound name
tripropyl-[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

414.25903 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.26631 201.6
[M+Na]+ 437.24825 208.3
[M-H]- 413.25175 200.6
[M+NH4]+ 432.29285 215.5
[M+K]+ 453.22219 199.7
[M+H-H2O]+ 397.25629 188.2
[M+HCOO]- 459.25723 202.2
[M+CH3COO]- 473.27288 229.7
[M+Na-2H]- 435.23370 209.3
[M]+ 414.25848 203.2
[M]- 414.25958 203.2
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.