CID 3077365

134134-04-6

Structural Information

Molecular Formula
C25H30O3Si
SMILES
CCCC12COC(OC1)(OC2)C3=CC=C(C=C3)C#C[Si](C)(C)CC4=CC=CC=C4
InChI
InChI=1S/C25H30O3Si/c1-4-15-24-18-26-25(27-19-24,28-20-24)23-12-10-21(11-13-23)14-16-29(2,3)17-22-8-6-5-7-9-22/h5-13H,4,15,17-20H2,1-3H3
InChIKey
KGFHSKZLHFBRKL-UHFFFAOYSA-N
Compound name
benzyl-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

406.1964 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.20368 198.4
[M+Na]+ 429.18562 206.7
[M-H]- 405.18912 200.2
[M+NH4]+ 424.23022 211.9
[M+K]+ 445.15956 197.0
[M+H-H2O]+ 389.19366 183.3
[M+HCOO]- 451.19460 200.2
[M+CH3COO]- 465.21025 204.4
[M+Na-2H]- 427.17107 207.2
[M]+ 406.19585 197.5
[M]- 406.19695 197.5
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.