CID 3032693

18997-72-3

Structural Information

Molecular Formula

C₆H₁₄N₂S₂

SMILES

CN(C)CCCNC(=S)S

InChI

InChI=1S/C6H14N2S2/c1-8(2)5-3-4-7-6(9)10/h3-5H2,1-2H3,(H2,7,9,10)

InChIKey

VTMATBHAKYANPP-UHFFFAOYSA-N

Compound name

3-(dimethylamino)propylcarbamodithioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 178.05984 Da
Monoisotopic Mass: 1.1
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]+	179.06712	136.8
[M+Na]+	201.04906	142.2
[M-H]-	177.05256	138.0
[M+NH4]+	196.09366	157.3
[M+K]+	217.02300	139.9
[M+H-H2O]+	161.05710	130.3
[M+HCOO]-	223.05804	150.0
[M+CH3COO]-	237.07369	188.2
[M+Na-2H]-	199.03451	136.7
[M]+	178.05929	138.7
[M]-	178.06039	138.7

Literature stripe

literature stripe

Patent stripe

patents stripe