CID 407257

Nsc3416

Structural Information

Molecular Formula

C₈H₁₄N₂OS₂

SMILES

CCCN=C1N(C(=O)SS1)CCC

InChI

InChI=1S/C8H14N2OS2/c1-3-5-9-7-10(6-4-2)8(11)13-12-7/h3-6H2,1-2H3

InChIKey

DYWXBQNBFKMWCC-UHFFFAOYSA-N

Compound name

4-propyl-5-propylimino-1,2,4-dithiazolidin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 218.05475 Da
Monoisotopic Mass: 2.5
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]+	219.06203	144.0
[M+Na]+	241.04397	154.4
[M-H]-	217.04747	148.3
[M+NH4]+	236.08857	164.9
[M+K]+	257.01791	150.4
[M+H-H2O]+	201.05201	137.8
[M+HCOO]-	263.05295	160.2
[M+CH3COO]-	277.06860	189.1
[M+Na-2H]-	239.02942	143.9
[M]+	218.05420	149.6
[M]-	218.05530	149.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.