CID 11600725

S-(acetylsulfanylmethyl) ethanethioate

Structural Information

Molecular Formula

C₅H₈O₂S₂

SMILES

CC(=O)SCSC(=O)C

InChI

InChI=1S/C5H8O2S2/c1-4(6)8-3-9-5(2)7/h3H2,1-2H3

InChIKey

VKHBHEJHXRMVGJ-UHFFFAOYSA-N

Compound name

S-(acetylsulfanylmethyl) ethanethioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 163.99657 Da
Monoisotopic Mass: 1.2
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]+	165.00385	134.5
[M+Na]+	186.98579	143.1
[M+NH4]+	182.03039	142.5
[M+K]+	202.95973	135.1
[M-H]-	162.98929	133.6
[M+Na-2H]-	184.97124	135.8
[M]+	163.99602	136.2
[M]-	163.99712	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe