CID 119096653

18163-71-8

Structural Information

Molecular Formula

C₅H₁₀O₂SSi

SMILES

C[Si]1(CSCC(=O)O1)C

InChI

InChI=1S/C5H10O2SSi/c1-9(2)4-8-3-5(6)7-9/h3-4H2,1-2H3

InChIKey

GQBYMAJHDVRWAI-UHFFFAOYSA-N

Compound name

2,2-dimethyl-1,4,2-oxathiasilinan-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 162.01707 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]+	163.02435	129.9
[M+Na]+	185.00629	141.0
[M+NH4]+	180.05089	140.6
[M+K]+	200.98023	131.9
[M-H]-	161.00979	133.1
[M+Na-2H]-	182.99174	135.7
[M]+	162.01652	133.0
[M]-	162.01762	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe