CID 123468

2,8,9-trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(p-tolyl)-

Structural Information

Molecular Formula
C13H19NO3Si
SMILES
CC1=CC=C(C=C1)[Si]23OCCN(CCO2)CCO3
InChI
InChI=1S/C13H19NO3Si/c1-12-2-4-13(5-3-12)18-15-9-6-14(7-10-16-18)8-11-17-18/h2-5H,6-11H2,1H3
InChIKey
PRBBCDUTXWBPNJ-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)-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

265.11343 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.12071 169.9
[M+Na]+ 288.10265 169.9
[M+NH4]+ 283.14725 169.9
[M+K]+ 304.07659 169.9
[M-H]- 264.10615 169.9
[M+Na-2H]- 286.08810 169.9
[M]+ 265.11288 169.9
[M]- 265.11398 169.9
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.