CID 3032691

18997-70-1

Structural Information

Molecular Formula

C₉H₂₀N₂S₂

SMILES

CCN(CC)CCCCNC(=S)S

InChI

InChI=1S/C9H20N2S2/c1-3-11(4-2)8-6-5-7-10-9(12)13/h3-8H2,1-2H3,(H2,10,12,13)

InChIKey

DWUHFPYGGOZFIF-UHFFFAOYSA-N

Compound name

4-(diethylamino)butylcarbamodithioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 220.1068 Da
Monoisotopic Mass: 2.2
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]+	221.11408	150.8
[M+Na]+	243.09602	157.5
[M+NH4]+	238.14062	158.9
[M+K]+	259.06996	148.4
[M-H]-	219.09952	151.9
[M+Na-2H]-	241.08147	152.5
[M]+	220.10625	152.7
[M]-	220.10735	152.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.