CID 257640

Allyl dimethyldithiocarbamate

Structural Information

Molecular Formula

C₆H₁₁NS₂

SMILES

CN(C)C(=S)SCC=C

InChI

InChI=1S/C6H11NS2/c1-4-5-9-6(8)7(2)3/h4H,1,5H2,2-3H3

InChIKey

ZFMLVJCASVPGIT-UHFFFAOYSA-N

Compound name

prop-2-enyl N,N-dimethylcarbamodithioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 161.0333 Da
Monoisotopic Mass: 1.9
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]+	162.04058	135.7
[M+Na]+	184.02252	144.3
[M+NH4]+	179.06712	144.5
[M+K]+	199.99646	135.2
[M-H]-	160.02602	136.5
[M+Na-2H]-	182.00797	138.0
[M]+	161.03275	137.9
[M]-	161.03385	137.9

Literature stripe

literature stripe

Patent stripe

patents stripe