CID 3085779

Carbamodithioic acid, (3-(4-morpholinyl)propyl)-

Structural Information

Molecular Formula

C₈H₁₆N₂OS₂

SMILES

C1COCCN1CCCNC(=S)S

InChI

InChI=1S/C8H16N2OS2/c12-8(13)9-2-1-3-10-4-6-11-7-5-10/h1-7H2,(H2,9,12,13)

InChIKey

ZEGKIMZVMGGNQI-UHFFFAOYSA-N

Compound name

3-morpholin-4-ylpropylcarbamodithioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 220.0704 Da
Monoisotopic Mass: 0.7
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]+	221.07768	145.8
[M+Na]+	243.05962	150.0
[M-H]-	219.06312	147.2
[M+NH4]+	238.10422	161.6
[M+K]+	259.03356	147.5
[M+H-H2O]+	203.06766	139.0
[M+HCOO]-	265.06860	153.7
[M+CH3COO]-	279.08425	186.7
[M+Na-2H]-	241.04507	146.3
[M]+	220.06985	144.2
[M]-	220.07095	144.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe