CID 2754718

32118-35-7

Structural Information

Molecular Formula

C₁₀H₂₀N₂S₄

SMILES

CSC(=S)NCCCCCCNC(=S)SC

InChI

InChI=1S/C10H20N2S4/c1-15-9(13)11-7-5-3-4-6-8-12-10(14)16-2/h3-8H2,1-2H3,(H,11,13)(H,12,14)

InChIKey

KXZRRVOMEZYCFQ-UHFFFAOYSA-N

Compound name

methyl N-[6-(methylsulfanylcarbothioylamino)hexyl]carbamodithioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 296.05093 Da
Monoisotopic Mass: 3.4
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]+	297.058206	162.5
[M+Na]+	319.040148	165.2
[M-H]-	295.043654	158.9
[M+NH4]+	314.084753	176.0
[M+K]+	335.014088	155.2
[M+H-H2O]+	279.048190	154.6
[M+HCOO]-	341.049131	160.0
[M+CH3COO]-	355.064781	205.5
[M+Na-2H]-	317.025596	159.7
[M]+	296.05038142	159.6
[M]-	296.05147858	159.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe