CID 12704

Methyl diethyldithiocarbamate

Structural Information

Molecular Formula

C₆H₁₃NS₂

SMILES

CCN(CC)C(=S)SC

InChI

InChI=1S/C6H13NS2/c1-4-7(5-2)6(8)9-3/h4-5H2,1-3H3

InChIKey

JYRXPFCUABYLPD-UHFFFAOYSA-N

Compound name

methyl N,N-diethylcarbamodithioate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 33
References: 159
Patents: 163.04893 Da
Monoisotopic Mass: 2.0
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]+	164.05621	135.7
[M+Na]+	186.03815	144.3
[M+NH4]+	181.08275	144.8
[M+K]+	202.01209	135.3
[M-H]-	162.04165	136.8
[M+Na-2H]-	184.02360	138.1
[M]+	163.04838	138.0
[M]-	163.04948	138.0

Literature stripe

literature stripe

Patent stripe

patents stripe