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]+ 373.21935 189.7
[M+Na]+ 395.20129 197.6
[M-H]- 371.20479 189.4
[M+NH4]+ 390.24589 205.2
[M+K]+ 411.17523 189.6
[M+H-H2O]+ 355.20933 176.8
[M+HCOO]- 417.21027 191.3
[M+CH3COO]- 431.22592 196.3
[M+Na-2H]- 393.18674 198.9
[M]+ 372.21152 190.6
[M]- 372.21262 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.