CID 76766

3278-35-1

Structural Information

Molecular Formula

C₆H₁₀O₃S₂

SMILES

CCOC(=O)SC(=S)OCC

InChI

InChI=1S/C6H10O3S2/c1-3-8-5(7)11-6(10)9-4-2/h3-4H2,1-2H3

InChIKey

SRMBUOSQQRRJRV-UHFFFAOYSA-N

Compound name

ethyl ethoxycarbothioylsulfanylformate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 194.00714 Da
Monoisotopic Mass: 2.6
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]+	195.01442	142.1
[M+Na]+	216.99636	150.0
[M+NH4]+	212.04096	149.3
[M+K]+	232.97030	142.3
[M-H]-	192.99986	140.6
[M+Na-2H]-	214.98181	142.7
[M]+	194.00659	143.4
[M]-	194.00769	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe