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

8
Annotation Hits: 11
References: 34330
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	145.5
[M+Na]+	228.08511	150.6
[M-H]-	204.08861	146.4
[M+NH4]+	223.12971	165.4
[M+K]+	244.05905	147.9
[M+H-H2O]+	188.09315	139.1
[M+HCOO]-	250.09409	157.0
[M+CH3COO]-	264.10974	192.4
[M+Na-2H]-	226.07056	143.6
[M]+	205.09534	149.4
[M]-	205.09644	149.4

Literature stripe

literature stripe

Patent stripe

patents stripe