CID 82435

(1,3-dithiolan-2-ylidene)urea

Structural Information

Molecular Formula

C₄H₆N₂OS₂

SMILES

C1CSC(=NC(=O)N)S1

InChI

InChI=1S/C4H6N2OS2/c5-3(7)6-4-8-1-2-9-4/h1-2H2,(H2,5,7)

InChIKey

FJVAYZAZXKJIOJ-UHFFFAOYSA-N

Compound name

1,3-dithiolan-2-ylideneurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 161.99216 Da
Monoisotopic Mass: 0.9
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]+	162.99944	131.5
[M+Na]+	184.98138	138.0
[M+NH4]+	180.02598	140.3
[M+K]+	200.95532	131.7
[M-H]-	160.98488	133.5
[M+Na-2H]-	182.96683	134.3
[M]+	161.99161	133.4
[M]-	161.99271	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.