CID 8685

Dibutyldithiocarbamic acid

Structural Information

Molecular Formula

C₉H₁₉NS₂

SMILES

CCCCN(CCCC)C(=S)S

InChI

InChI=1S/C9H19NS2/c1-3-5-7-10(9(11)12)8-6-4-2/h3-8H2,1-2H3,(H,11,12)

InChIKey

SZRLKIKBPASKQH-UHFFFAOYSA-N

Compound name

dibutylcarbamodithioic acid

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 11
References: 29968
Patents: 205.09589 Da
Monoisotopic Mass: 3.4
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]+	206.10317	147.7
[M+Na]+	228.08511	155.7
[M+NH4]+	223.12971	156.3
[M+K]+	244.05905	146.1
[M-H]-	204.08861	148.7
[M+Na-2H]-	226.07056	149.5
[M]+	205.09534	149.9
[M]-	205.09644	149.9

Literature stripe

literature stripe

Patent stripe

patents stripe