CID 3065688

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

Structural Information

Molecular Formula
C20H28O3Si
SMILES
CC(C)CC12COC(OC1)(OC2)C3=CC=C(C=C3)C#C[Si](C)(C)C
InChI
InChI=1S/C20H28O3Si/c1-16(2)12-19-13-21-20(22-14-19,23-15-19)18-8-6-17(7-9-18)10-11-24(3,4)5/h6-9,16H,12-15H2,1-5H3
InChIKey
KVJPNGHZTGCDJB-UHFFFAOYSA-N
Compound name
trimethyl-[2-[4-[4-(2-methylpropyl)-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

8
Patents

344.1808 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.18808 183.2
[M+Na]+ 367.17002 191.6
[M-H]- 343.17352 183.2
[M+NH4]+ 362.21462 199.7
[M+K]+ 383.14396 184.4
[M+H-H2O]+ 327.17806 170.9
[M+HCOO]- 389.17900 184.5
[M+CH3COO]- 403.19465 190.4
[M+Na-2H]- 365.15547 192.3
[M]+ 344.18025 183.0
[M]- 344.18135 183.0
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