CID 3032697

19022-72-1

Structural Information

Molecular Formula

C₈H₁₈N₂S₂

SMILES

CCN(CC)CCCNC(=S)S

InChI

InChI=1S/C8H18N2S2/c1-3-10(4-2)7-5-6-9-8(11)12/h3-7H2,1-2H3,(H2,9,11,12)

InChIKey

JKTKUIWAWFVTIQ-UHFFFAOYSA-N

Compound name

3-(diethylamino)propylcarbamodithioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 206.09114 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]+	207.09842	145.2
[M+Na]+	229.08036	149.7
[M-H]-	205.08386	146.0
[M+NH4]+	224.12496	164.6
[M+K]+	245.05430	147.0
[M+H-H2O]+	189.08840	138.4
[M+HCOO]-	251.08934	157.8
[M+CH3COO]-	265.10499	194.1
[M+Na-2H]-	227.06581	144.3
[M]+	206.09059	147.9
[M]-	206.09169	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe