CID 16797

Methylsilatrane

Structural Information

Molecular Formula

C₇H₁₅NO₃Si

SMILES

C[Si]12OCCN(CCO1)CCO2

InChI

InChI=1S/C7H15NO3Si/c1-12-9-5-2-8(3-6-10-12)4-7-11-12/h2-7H2,1H3

InChIKey

DZLQWMNVOBAZGC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 322
Patents: 189.08212 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]+	190.08940	169.8
[M+Na]+	212.07134	169.8
[M+NH4]+	207.11594	169.8
[M+K]+	228.04528	169.8
[M-H]-	188.07484	169.8
[M+Na-2H]-	210.05679	169.8
[M]+	189.08157	169.8
[M]-	189.08267	169.8

Literature stripe

literature stripe

Patent stripe

patents stripe