CID 3032690

18997-69-8

Structural Information

Molecular Formula

C₅H₁₂N₂S₂

SMILES

CN(C)CCNC(=S)S

InChI

InChI=1S/C5H12N2S2/c1-7(2)4-3-6-5(8)9/h3-4H2,1-2H3,(H2,6,8,9)

InChIKey

HZMRUOHWKQPMMG-UHFFFAOYSA-N

Compound name

2-(dimethylamino)ethylcarbamodithioic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 6
Patents: 164.04419 Da
Monoisotopic Mass: 0.8
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]+	165.05147	132.6
[M+Na]+	187.03341	138.4
[M-H]-	163.03691	133.9
[M+NH4]+	182.07801	153.6
[M+K]+	203.00735	136.4
[M+H-H2O]+	147.04145	126.3
[M+HCOO]-	209.04239	146.1
[M+CH3COO]-	223.05804	185.3
[M+Na-2H]-	185.01886	132.9
[M]+	164.04364	134.1
[M]-	164.04474	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe