CID 257640

Dimethyldithiocarbamic acid allyl ester

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: 36
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]+	162.040576	131.9
[M+Na]+	184.022518	138.7
[M-H]-	160.026024	133.6
[M+NH4]+	179.067123	153.6
[M+K]+	199.996458	136.2
[M+H-H2O]+	144.030560	126.3
[M+HCOO]-	206.031501	144.6
[M+CH3COO]-	220.047151	182.0
[M+Na-2H]-	182.007966	131.4
[M]+	161.03275142	134.1
[M]-	161.03384858	134.1

Literature stripe

literature stripe

Patent stripe

patents stripe