CID 3077368

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

Structural Information

Molecular Formula
C22H32O3Si
SMILES
CCCC12COC(OC1)(OC2)C3=CC=C(C=C3)C#C[Si](CC)(CC)CC
InChI
InChI=1S/C22H32O3Si/c1-5-14-21-16-23-22(24-17-21,25-18-21)20-11-9-19(10-12-20)13-15-26(6-2,7-3)8-4/h9-12H,5-8,14,16-18H2,1-4H3
InChIKey
CKSYEYPCZIPBEH-UHFFFAOYSA-N
Compound name
triethyl-[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

372.21207 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.219346 189.7
[M+Na]+ 395.201288 197.6
[M-H]- 371.204794 189.4
[M+NH4]+ 390.245893 205.2
[M+K]+ 411.175228 189.6
[M+H-H2O]+ 355.209330 176.8
[M+HCOO]- 417.210271 191.3
[M+CH3COO]- 431.225921 196.3
[M+Na-2H]- 393.186736 198.9
[M]+ 372.21152142 190.6
[M]- 372.21261858 190.6
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.