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 114.6
[M+Na]+ 303.11355 114.7
[M-H]- 279.11705 114.6
[M+NH4]+ 298.15815 114.6
[M+K]+ 319.08749 114.7
[M+H-H2O]+ 263.12159 114.5
[M+HCOO]- 325.12253 114.6
[M+CH3COO]- 339.13818 114.6
[M+Na-2H]- 301.09900 114.5
[M]+ 280.12378 114.6
[M]- 280.12488 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

No literature data available for this compound.

Patent stripe

patents stripe