CID 3076496

131505-52-7

Structural Information

Molecular Formula
C20H26O3Si
SMILES
C[C@@H]1C[C@H]1C23COC(OC2)(OC3)C4=CC=C(C=C4)C#C[Si](C)(C)C
InChI
InChI=1S/C20H26O3Si/c1-15-11-18(15)19-12-21-20(22-13-19,23-14-19)17-7-5-16(6-8-17)9-10-24(2,3)4/h5-8,15,18H,11-14H2,1-4H3/t15-,18-,19?,20?/m1/s1
InChIKey
OMVHXNUHFGOVRE-QOFIHUKGSA-N
Compound name
trimethyl-[2-[4-[4-[(1R,2R)-2-methylcyclopropyl]-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

3
Patents

342.16513 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.17241 184.3
[M+Na]+ 365.15435 197.5
[M+NH4]+ 360.19895 193.4
[M+K]+ 381.12829 185.5
[M-H]- 341.15785 188.0
[M+Na-2H]- 363.13980 185.5
[M]+ 342.16458 188.2
[M]- 342.16568 188.2
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

patents stripe