CID 3032692

18997-71-2

Structural Information

Molecular Formula

C₆H₁₄N₂S₂

SMILES

CC(CN(C)C)NC(=S)S

InChI

InChI=1S/C6H14N2S2/c1-5(4-8(2)3)7-6(9)10/h5H,4H2,1-3H3,(H2,7,9,10)

InChIKey

OUZPRJADQOPFJN-UHFFFAOYSA-N

Compound name

1-(dimethylamino)propan-2-ylcarbamodithioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 178.05984 Da
Monoisotopic Mass: 1.2
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]+	179.06712	137.3
[M+Na]+	201.04906	142.3
[M-H]-	177.05256	138.5
[M+NH4]+	196.09366	157.7
[M+K]+	217.02300	140.6
[M+H-H2O]+	161.05710	130.9
[M+HCOO]-	223.05804	149.4
[M+CH3COO]-	237.07369	189.1
[M+Na-2H]-	199.03451	136.2
[M]+	178.05929	138.6
[M]-	178.06039	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.