CID 3034736

Propyl ethyldithiocarbamate

Structural Information

Molecular Formula

C₆H₁₃NS₂

SMILES

CCCSC(=S)NCC

InChI

InChI=1S/C6H13NS2/c1-3-5-9-6(8)7-4-2/h3-5H2,1-2H3,(H,7,8)

InChIKey

DHHZMMARLMPOOK-UHFFFAOYSA-N

Compound name

propyl N-ethylcarbamodithioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 163.04893 Da
Monoisotopic Mass: 2.3
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	132.6
[M+Na]+	186.03815	138.9
[M-H]-	162.04165	132.6
[M+NH4]+	181.08275	153.6
[M+K]+	202.01209	135.6
[M+H-H2O]+	146.04619	127.0
[M+HCOO]-	208.04713	144.6
[M+CH3COO]-	222.06278	179.4
[M+Na-2H]-	184.02360	132.6
[M]+	163.04838	134.0
[M]-	163.04948	134.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe