CID 16416

Phenylsilatrane

Structural Information

Molecular Formula

C₁₂H₁₇NO₃Si

SMILES

C1CO[Si]2(OCCN1CCO2)C3=CC=CC=C3

InChI

InChI=1S/C12H17NO3Si/c1-2-4-12(5-3-1)17-14-9-6-13(7-10-15-17)8-11-16-17/h1-5H,6-11H2

InChIKey

IJOIPPSHQCEBDH-UHFFFAOYSA-N

Compound name

1-phenyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 40
Patents: 251.09776 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	252.10504	114.6
[M+Na]+	274.08698	114.7
[M-H]-	250.09048	114.6
[M+NH4]+	269.13158	114.6
[M+K]+	290.06092	114.7
[M+H-H2O]+	234.09502	114.5
[M+HCOO]-	296.09596	114.6
[M+CH3COO]-	310.11161	114.6
[M+Na-2H]-	272.07243	114.5
[M]+	251.09721	114.6
[M]-	251.09831	114.6

Literature stripe

literature stripe

Patent stripe

patents stripe