CID 123453

Phenylaminomethylsilatrane

Structural Information

Molecular Formula
C13H20N2O3Si
SMILES
C1CO[Si]2(OCCN1CCO2)CNC3=CC=CC=C3
InChI
InChI=1S/C13H20N2O3Si/c1-2-4-13(5-3-1)14-12-19-16-9-6-15(7-10-17-19)8-11-18-19/h1-5,14H,6-12H2
InChIKey
YGHSPISFNKUQEY-UHFFFAOYSA-N
Compound name
N-(2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-ylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

280.12433 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.13161 169.9
[M+Na]+ 303.11355 169.9
[M+NH4]+ 298.15815 169.9
[M+K]+ 319.08749 169.9
[M-H]- 279.11705 169.9
[M+Na-2H]- 301.09900 169.9
[M]+ 280.12378 169.9
[M]- 280.12488 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

patents stripe