CID 20855

Diethyldithiocarbamic acid ethyl ester

Structural Information

Molecular Formula

C₇H₁₅NS₂

SMILES

CCN(CC)C(=S)SCC

InChI

InChI=1S/C7H15NS2/c1-4-8(5-2)7(9)10-6-3/h4-6H2,1-3H3

InChIKey

RKDROQWWHWDICV-UHFFFAOYSA-N

Compound name

ethyl N,N-diethylcarbamodithioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 178
Patents: 177.06459 Da
Monoisotopic Mass: 2.4
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]+	178.07187	139.8
[M+Na]+	200.05381	148.2
[M+NH4]+	195.09841	148.7
[M+K]+	216.02775	139.0
[M-H]-	176.05731	140.8
[M+Na-2H]-	198.03926	142.0
[M]+	177.06404	142.0
[M]-	177.06514	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe