CID 198852

1-phenoxysilatrane

Structural Information

Molecular Formula
C12H17NO4Si
SMILES
C1CO[Si]2(OCCN1CCO2)OC3=CC=CC=C3
InChI
InChI=1S/C12H17NO4Si/c1-2-4-12(5-3-1)17-18-14-9-6-13(7-10-15-18)8-11-16-18/h1-5H,6-11H2
InChIKey
VXZOISSTUSCPNB-UHFFFAOYSA-N
Compound name
1-phenoxy-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

267.09268 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.09996 169.9
[M+Na]+ 290.08190 169.9
[M+NH4]+ 285.12650 169.9
[M+K]+ 306.05584 169.9
[M-H]- 266.08540 169.9
[M+Na-2H]- 288.06735 169.9
[M]+ 267.09213 169.9
[M]- 267.09323 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

literature stripe

Patent stripe

No patent data available for this compound.