CID 15917037

Methyl hexyldithiocarbamate

Structural Information

Molecular Formula

C₈H₁₇NS₂

SMILES

CCCCCCNC(=S)SC

InChI

InChI=1S/C8H17NS2/c1-3-4-5-6-7-9-8(10)11-2/h3-7H2,1-2H3,(H,9,10)

InChIKey

MEWRCLWSTWTYMK-UHFFFAOYSA-N

Compound name

methyl N-hexylcarbamodithioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 191.08025 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]+	192.08753	140.9
[M+Na]+	214.06947	146.4
[M-H]-	190.07297	140.6
[M+NH4]+	209.11407	160.9
[M+K]+	230.04341	142.6
[M+H-H2O]+	174.07751	135.0
[M+HCOO]-	236.07845	152.4
[M+CH3COO]-	250.09410	185.3
[M+Na-2H]-	212.05492	140.1
[M]+	191.07970	143.2
[M]-	191.08080	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe