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	139.2
[M+Na]+	216.99636	146.1
[M-H]-	192.99986	139.5
[M+NH4]+	212.04096	159.2
[M+K]+	232.97030	144.1
[M+H-H2O]+	177.00440	133.9
[M+HCOO]-	239.00534	150.5
[M+CH3COO]-	253.02099	179.1
[M+Na-2H]-	214.98181	138.3
[M]+	194.00659	144.4
[M]-	194.00769	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe