CID 4091432

Selenium diethyldithiocarbamate

Structural Information

Molecular Formula

C₁₀H₂₀N₂S₄Se

SMILES

CCN(CC)C(=S)S[Se]SC(=S)N(CC)CC

InChI

InChI=1S/C10H20N2S4Se/c1-5-11(6-2)9(13)15-17-16-10(14)12(7-3)8-4/h5-8H2,1-4H3

InChIKey

RLULIUSIDLLCSW-UHFFFAOYSA-N

Compound name

diethylcarbamothioylsulfanylselanyl N,N-diethylcarbamodithioate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 839
Patents: 375.96747 Da
Monoisotopic Mass: None
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]+	376.97475	179.5
[M+Na]+	398.95669	181.4
[M-H]-	374.96019	178.1
[M+NH4]+	394.00129	193.1
[M+K]+	414.93063	173.7
[M+H-H2O]+	358.96473	170.3
[M+HCOO]-	420.96567	176.6
[M+CH3COO]-	434.98132	216.4
[M+Na-2H]-	396.94214	174.3
[M]+	375.96692	179.4
[M]-	375.96802	179.4

Literature stripe

literature stripe

Patent stripe

patents stripe