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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.01476 137.9
[M+Na]+ 213.99670 146.6
[M-H]- 190.00020 138.8
[M+NH4]+ 209.04130 158.1
[M+K]+ 229.97064 142.6
[M+H-H2O]+ 174.00474 133.0
[M+HCOO]- 236.00568 148.2
[M+CH3COO]- 250.02133 176.5
[M+Na-2H]- 211.98215 135.8
[M]+ 191.00693 138.6
[M]- 191.00803 138.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.