CID 203011

1-(p-nitrophenoxy)silatrane

Structural Information

Molecular Formula
C12H16N2O6Si
SMILES
C1CO[Si]2(OCCN1CCO2)OC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C12H16N2O6Si/c15-14(16)11-1-3-12(4-2-11)20-21-17-8-5-13(6-9-18-21)7-10-19-21/h1-4H,5-10H2
InChIKey
PJFASTGJUUIVKV-UHFFFAOYSA-N
Compound name
1-(4-nitrophenoxy)-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

312.07776 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.08504 169.9
[M+Na]+ 335.06698 169.9
[M+NH4]+ 330.11158 169.9
[M+K]+ 351.04092 169.9
[M-H]- 311.07048 169.9
[M+Na-2H]- 333.05243 169.9
[M]+ 312.07721 169.9
[M]- 312.07831 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.