CID 3032689

18997-68-7

Structural Information

Molecular Formula

C₇H₁₆N₂S₂

SMILES

CN(C)CCCCNC(=S)S

InChI

InChI=1S/C7H16N2S2/c1-9(2)6-4-3-5-8-7(10)11/h3-6H2,1-2H3,(H2,8,10,11)

InChIKey

DCHCGJGEXGQXPE-UHFFFAOYSA-N

Compound name

4-(dimethylamino)butylcarbamodithioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 192.07549 Da
Monoisotopic Mass: 1.5
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]+	193.08277	142.8
[M+Na]+	215.06471	149.8
[M+NH4]+	210.10931	151.1
[M+K]+	231.03865	141.1
[M-H]-	191.06821	143.9
[M+Na-2H]-	213.05016	144.9
[M]+	192.07494	144.7
[M]-	192.07604	144.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.