CID 3055493

1-(2-(2-furyl)ethyl)silatrane

Structural Information

Molecular Formula
C12H19NO4Si
SMILES
C1CO[Si]2(OCCN1CCO2)CCC3=CC=CO3
InChI
InChI=1S/C12H19NO4Si/c1-2-12(14-7-1)3-11-18-15-8-4-13(5-9-16-18)6-10-17-18/h1-2,7H,3-6,8-11H2
InChIKey
RGGCCNZJVSQBFQ-UHFFFAOYSA-N
Compound name
1-[2-(furan-2-yl)ethyl]-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

269.10834 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.11562 169.9
[M+Na]+ 292.09756 169.9
[M+NH4]+ 287.14216 169.9
[M+K]+ 308.07150 169.9
[M-H]- 268.10106 169.9
[M+Na-2H]- 290.08301 169.9
[M]+ 269.10779 169.9
[M]- 269.10889 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.