CID 66607

Diethylthiocarbamoyl chloride

Structural Information

Molecular Formula

C₅H₁₀ClNS

SMILES

CCN(CC)C(=S)Cl

InChI

InChI=1S/C5H10ClNS/c1-3-7(4-2)5(6)8/h3-4H2,1-2H3

InChIKey

HUUSTUALCPTCGJ-UHFFFAOYSA-N

Compound name

N,N-diethylcarbamothioyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 571
Patents: 151.02225 Da
Monoisotopic Mass: 2.1
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]+	152.02953	128.9
[M+Na]+	174.01147	136.6
[M-H]-	150.01497	131.1
[M+NH4]+	169.05607	151.9
[M+K]+	189.98541	134.7
[M+H-H2O]+	134.01951	125.0
[M+HCOO]-	196.02045	143.5
[M+CH3COO]-	210.03610	179.5
[M+Na-2H]-	171.99692	130.9
[M]+	151.02170	132.5
[M]-	151.02280	132.5

Literature stripe

literature stripe

Patent stripe

patents stripe