CID 74983

1-ethylsilatrane

Structural Information

Molecular Formula

C₈H₁₇NO₃Si

SMILES

CC[Si]12OCCN(CCO1)CCO2

InChI

InChI=1S/C8H17NO3Si/c1-2-13-10-6-3-9(4-7-11-13)5-8-12-13/h2-8H2,1H3

InChIKey

BJMVMCLSNWRFSD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4
Patents: 203.09776 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]+	204.10504	114.6
[M+Na]+	226.08698	114.7
[M-H]-	202.09048	114.6
[M+NH4]+	221.13158	114.6
[M+K]+	242.06092	114.7
[M+H-H2O]+	186.09502	114.5
[M+HCOO]-	248.09596	114.6
[M+CH3COO]-	262.11161	114.6
[M+Na-2H]-	224.07243	114.5
[M]+	203.09721	114.6
[M]-	203.09831	114.6

Literature stripe

literature stripe

Patent stripe

patents stripe