CID 3051863

1-(3-thienyl)silatrane

Structural Information

Molecular Formula

C₁₀H₁₅NO₃SSi

SMILES

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

InChI

InChI=1S/C10H15NO3SSi/c1-8-15-9-10(1)16-12-5-2-11(3-6-13-16)4-7-14-16/h1,8-9H,2-7H2

InChIKey

OIFBXZNEUXBIRP-UHFFFAOYSA-N

Compound name

1-thiophen-3-yl-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: 257.0542 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]+	258.061476	114.7
[M+Na]+	280.043418	114.8
[M-H]-	256.046924	114.7
[M+NH4]+	275.088023	114.7
[M+K]+	296.017358	114.8
[M+H-H2O]+	240.051460	114.6
[M+HCOO]-	302.052401	114.7
[M+CH3COO]-	316.068051	114.7
[M+Na-2H]-	278.028866	114.6
[M]+	257.05365142	114.7
[M]-	257.05474858	114.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.