CID 203008

1-(p-methylphenoxy)-silatrane

Structural Information

Molecular Formula
C13H19NO4Si
SMILES
CC1=CC=C(C=C1)O[Si]23OCCN(CCO2)CCO3
InChI
InChI=1S/C13H19NO4Si/c1-12-2-4-13(5-3-12)18-19-15-9-6-14(7-10-16-19)8-11-17-19/h2-5H,6-11H2,1H3
InChIKey
JSMJJRXGICSIMK-UHFFFAOYSA-N
Compound name
1-(4-methylphenoxy)-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

281.10834 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11562 114.7
[M+Na]+ 304.09756 114.8
[M-H]- 280.10106 114.7
[M+NH4]+ 299.14216 114.7
[M+K]+ 320.07150 114.8
[M+H-H2O]+ 264.10560 114.6
[M+HCOO]- 326.10654 114.7
[M+CH3COO]- 340.12219 114.6
[M+Na-2H]- 302.08301 114.5
[M]+ 281.10779 114.7
[M]- 281.10889 114.7
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.