CID 3032696

19022-71-0

Structural Information

Molecular Formula

C₇H₁₆N₂S₂

SMILES

CCN(CC)CCNC(=S)S

InChI

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

InChIKey

SJXGCZHADALIJA-UHFFFAOYSA-N

Compound name

2-(diethylamino)ethylcarbamodithioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
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]+	193.082766	141.0
[M+Na]+	215.064708	146.0
[M-H]-	191.068214	142.0
[M+NH4]+	210.109313	160.9
[M+K]+	231.038648	143.5
[M+H-H2O]+	175.072750	134.3
[M+HCOO]-	237.073691	153.9
[M+CH3COO]-	251.089341	191.2
[M+Na-2H]-	213.050156	140.5
[M]+	192.07494142	143.3
[M]-	192.07603858	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe