CID 122707196

1823908-73-1

Structural Information

Molecular Formula

C₆H₉NO₂S₂

SMILES

C1C(=O)N(C(=S)S1)CCCO

InChI

InChI=1S/C6H9NO2S2/c8-3-1-2-7-5(9)4-11-6(7)10/h8H,1-4H2

InChIKey

QGFSYZBWYAIZDM-UHFFFAOYSA-N

Compound name

3-(3-hydroxypropyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 191.00748 Da
Monoisotopic Mass: 0.5
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]+	192.014756	137.9
[M+Na]+	213.996698	146.6
[M-H]-	190.000204	138.8
[M+NH4]+	209.041303	158.1
[M+K]+	229.970638	142.6
[M+H-H2O]+	174.004740	133.0
[M+HCOO]-	236.005681	148.2
[M+CH3COO]-	250.021331	176.5
[M+Na-2H]-	211.982146	135.8
[M]+	191.00693142	138.6
[M]-	191.00802858	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.