CID 350683

Nsc514747

Structural Information

Molecular Formula

C₉H₁₇NS₂

SMILES

CCC(CC)CN1CCSC1=S

InChI

InChI=1S/C9H17NS2/c1-3-8(4-2)7-10-5-6-12-9(10)11/h8H,3-7H2,1-2H3

InChIKey

ARZBNELJPBMQSL-UHFFFAOYSA-N

Compound name

3-(2-ethylbutyl)-1,3-thiazolidine-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 203.08025 Da
Monoisotopic Mass: 3.1
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]+	204.08753	144.4
[M+Na]+	226.06947	151.4
[M-H]-	202.07297	146.2
[M+NH4]+	221.11407	165.0
[M+K]+	242.04341	148.1
[M+H-H2O]+	186.07751	138.8
[M+HCOO]-	248.07845	153.7
[M+CH3COO]-	262.09410	184.7
[M+Na-2H]-	224.05492	140.7
[M]+	203.07970	145.1
[M]-	203.08080	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe