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

12
Patents

372.21207 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.21935 194.3
[M+Na]+ 395.20129 202.5
[M-H]- 371.20479 194.2
[M+NH4]+ 390.24589 209.9
[M+K]+ 411.17523 195.3
[M+H-H2O]+ 355.20933 182.2
[M+HCOO]- 417.21027 194.5
[M+CH3COO]- 431.22592 222.1
[M+Na-2H]- 393.18674 204.3
[M]+ 372.21152 194.8
[M]- 372.21262 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