CID 11447120

3278-34-0

Structural Information

Molecular Formula

C₇H₁₂O₃S₂

SMILES

CCOC(=O)CSC(=S)OCC

InChI

InChI=1S/C7H12O3S2/c1-3-9-6(8)5-12-7(11)10-4-2/h3-5H2,1-2H3

InChIKey

RKRYBQILCOFTOM-UHFFFAOYSA-N

Compound name

ethyl 2-ethoxycarbothioylsulfanylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 208.02278 Da
Monoisotopic Mass: 2.3
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]+	209.03006	145.9
[M+Na]+	231.01200	153.6
[M+NH4]+	226.05660	153.0
[M+K]+	246.98594	145.7
[M-H]-	207.01550	144.4
[M+Na-2H]-	228.99745	146.3
[M]+	208.02223	147.2
[M]-	208.02333	147.2

Literature stripe

literature stripe

Patent stripe

patents stripe