CID 3065686

108613-98-5

Structural Information

Molecular Formula
C22H32O3Si
SMILES
CCCC12COC(OC1)(OC2)C3=CC=C(C=C3)C#C[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C22H32O3Si/c1-7-13-21-15-23-22(24-16-21,25-17-21)19-10-8-18(9-11-19)12-14-26(5,6)20(2,3)4/h8-11H,7,13,15-17H2,1-6H3
InChIKey
QMAVQDSHUQZDGN-UHFFFAOYSA-N
Compound name
tert-butyl-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

9
Patents

372.21207 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.219346 194.3
[M+Na]+ 395.201288 202.5
[M-H]- 371.204794 194.2
[M+NH4]+ 390.245893 209.9
[M+K]+ 411.175228 195.3
[M+H-H2O]+ 355.209330 182.2
[M+HCOO]- 417.210271 194.5
[M+CH3COO]- 431.225921 222.1
[M+Na-2H]- 393.186736 204.3
[M]+ 372.21152142 194.8
[M]- 372.21261858 194.8
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