CID 169087

29803-48-3

Structural Information

Molecular Formula

C₁₀H₁₈O₂S₄

SMILES

CC(C)SC(=S)OCCOC(=S)SC(C)C

InChI

InChI=1S/C10H18O2S4/c1-7(2)15-9(13)11-5-6-12-10(14)16-8(3)4/h7-8H,5-6H2,1-4H3

InChIKey

OHPQQWPINFWARP-UHFFFAOYSA-N

Compound name

O-(2-propan-2-ylsulfanylcarbothioyloxyethyl) propan-2-ylsulfanylmethanethioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 298.01895 Da
Monoisotopic Mass: 4.7
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]+	299.026226	164.3
[M+Na]+	321.008168	167.4
[M-H]-	297.011674	161.4
[M+NH4]+	316.052773	178.3
[M+K]+	336.982108	160.1
[M+H-H2O]+	281.016210	157.4
[M+HCOO]-	343.017151	159.1
[M+CH3COO]-	357.032801	201.9
[M+Na-2H]-	318.993616	159.1
[M]+	298.01840142	164.8
[M]-	298.01949858	164.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe