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 114.6
[M+Na]+ 290.08190 114.7
[M-H]- 266.08540 114.6
[M+NH4]+ 285.12650 114.6
[M+K]+ 306.05584 114.7
[M+H-H2O]+ 250.08994 114.5
[M+HCOO]- 312.09088 114.6
[M+CH3COO]- 326.10653 114.6
[M+Na-2H]- 288.06735 114.5
[M]+ 267.09213 114.6
[M]- 267.09323 114.6
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.