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: 361
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	137.1
[M+Na]+	200.05381	143.1
[M-H]-	176.05731	138.5
[M+NH4]+	195.09841	158.2
[M+K]+	216.02775	141.0
[M+H-H2O]+	160.06185	131.2
[M+HCOO]-	222.06279	149.3
[M+CH3COO]-	236.07844	185.9
[M+Na-2H]-	198.03926	136.1
[M]+	177.06404	140.3
[M]-	177.06514	140.3

Literature stripe

literature stripe

Patent stripe

patents stripe