CID 198728

2,8,9-trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(4-ethynylphenyl)-

Structural Information

Molecular Formula
C14H17NO3Si
SMILES
C#CC1=CC=C(C=C1)[Si]23OCCN(CCO2)CCO3
InChI
InChI=1S/C14H17NO3Si/c1-2-13-3-5-14(6-4-13)19-16-10-7-15(8-11-17-19)9-12-18-19/h1,3-6H,7-12H2
InChIKey
QIWOWCLAKNXINM-UHFFFAOYSA-N
Compound name
1-(4-ethynylphenyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.09778 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.10506 114.5
[M+Na]+ 298.08700 114.6
[M-H]- 274.09050 114.5
[M+NH4]+ 293.13160 114.5
[M+K]+ 314.06094 114.6
[M+H-H2O]+ 258.09504 114.4
[M+HCOO]- 320.09598 114.5
[M+CH3COO]- 334.11163 114.4
[M+Na-2H]- 296.07245 114.4
[M]+ 275.09723 114.5
[M]- 275.09833 114.5
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.