CID 3076498

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

Structural Information

Molecular Formula
C20H26O3Si
SMILES
CC1(CC1)C23COC(OC2)(OC3)C4=CC=C(C=C4)C#C[Si](C)(C)C
InChI
InChI=1S/C20H26O3Si/c1-18(10-11-18)19-13-21-20(22-14-19,23-15-19)17-7-5-16(6-8-17)9-12-24(2,3)4/h5-8H,10-11,13-15H2,1-4H3
InChIKey
UMUKXNNKTPTSIB-UHFFFAOYSA-N
Compound name
trimethyl-[2-[4-[4-(1-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

2
Patents

342.16513 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.17241 174.9
[M+Na]+ 365.15435 190.3
[M-H]- 341.15785 180.4
[M+NH4]+ 360.19895 190.4
[M+K]+ 381.12829 181.7
[M+H-H2O]+ 325.16239 164.7
[M+HCOO]- 387.16333 177.8
[M+CH3COO]- 401.17898 184.6
[M+Na-2H]- 363.13980 187.4
[M]+ 342.16458 179.0
[M]- 342.16568 179.0
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