CID 69342

O,s-diethyl dithiocarbonate

Structural Information

Molecular Formula

C₅H₁₀OS₂

SMILES

CCOC(=S)SCC

InChI

InChI=1S/C5H10OS2/c1-3-6-5(7)8-4-2/h3-4H2,1-2H3

InChIKey

JGZZEAPGGFAOAY-UHFFFAOYSA-N

Compound name

O-ethyl ethylsulfanylmethanethioate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 407
Patents: 150.0173 Da
Monoisotopic Mass: 2.4
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]+	151.024576	127.9
[M+Na]+	173.006518	135.4
[M-H]-	149.010024	128.4
[M+NH4]+	168.051123	149.8
[M+K]+	188.980458	133.2
[M+H-H2O]+	133.014560	123.0
[M+HCOO]-	195.015501	139.8
[M+CH3COO]-	209.031151	173.8
[M+Na-2H]-	170.991966	128.1
[M]+	150.01675142	131.4
[M]-	150.01784858	131.4

Literature stripe

literature stripe

Patent stripe

patents stripe