CID 66923

105-65-7

Structural Information

Molecular Formula

C₈H₁₄O₂S₄

SMILES

CC(C)OC(=S)SSC(=S)OC(C)C

InChI

InChI=1S/C8H14O2S4/c1-5(2)9-7(11)13-14-8(12)10-6(3)4/h5-6H,1-4H3

InChIKey

ZWWQICJTBOCQLA-UHFFFAOYSA-N

Compound name

O-propan-2-yl (propan-2-yloxycarbothioyldisulfanyl)methanethioate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 5346
Patents: 269.98767 Da
Monoisotopic Mass: 4.1
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]+	270.99495	155.0
[M+Na]+	292.97689	160.2
[M+NH4]+	288.02149	162.1
[M+K]+	308.95083	151.0
[M-H]-	268.98039	153.9
[M+Na-2H]-	290.96234	153.3
[M]+	269.98712	156.9
[M]-	269.98822	156.9

Literature stripe

literature stripe

Patent stripe

patents stripe