CID 84875

Zincdiamyldithiocarbamate

Structural Information

Molecular Formula

C₁₁H₂₃NS₂

SMILES

CCCCCN(CCCCC)C(=S)S

InChI

InChI=1S/C11H23NS2/c1-3-5-7-9-12(11(13)14)10-8-6-4-2/h3-10H2,1-2H3,(H,13,14)

InChIKey

JWHFYIKVRLMUCH-UHFFFAOYSA-N

Compound name

dipentylcarbamodithioic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 3352
Patents: 233.1272 Da
Monoisotopic Mass: 4.5
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]+	234.13448	153.9
[M+Na]+	256.11642	158.2
[M-H]-	232.11992	154.5
[M+NH4]+	251.16102	172.8
[M+K]+	272.09036	155.1
[M+H-H2O]+	216.12446	147.2
[M+HCOO]-	278.12540	164.9
[M+CH3COO]-	292.14105	198.3
[M+Na-2H]-	254.10187	151.2
[M]+	233.12665	158.6
[M]-	233.12775	158.6

Literature stripe

literature stripe

Patent stripe

patents stripe