CID 362521

Chloromethylsilatrane

Structural Information

Molecular Formula

C₇H₁₄ClNO₃Si

SMILES

C1CO[Si]2(OCCN1CCO2)CCl

InChI

InChI=1S/C7H14ClNO3Si/c8-7-13-10-4-1-9(2-5-11-13)3-6-12-13/h1-7H2

InChIKey

METVSRFIOHSNJX-UHFFFAOYSA-N

Compound name

1-(chloromethyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 21
References: 112
Patents: 223.04315 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]+	224.05043	169.8
[M+Na]+	246.03237	169.8
[M+NH4]+	241.07697	169.8
[M+K]+	262.00631	169.8
[M-H]-	222.03587	169.8
[M+Na-2H]-	244.01782	169.8
[M]+	223.04260	169.8
[M]-	223.04370	169.8

Literature stripe

literature stripe

Patent stripe

patents stripe