CID 2771566

Propanedithioamide

Structural Information

Molecular Formula

C₃H₆N₂S₂

SMILES

C(C(=S)N)C(=S)N

InChI

InChI=1S/C3H6N2S2/c4-2(6)1-3(5)7/h1H2,(H2,4,6)(H2,5,7)

InChIKey

UARRJIMJPIHAPB-UHFFFAOYSA-N

Compound name

propanedithioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 133.99724 Da
Monoisotopic Mass: -0.6
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]+	135.00452	125.4
[M+Na]+	156.98646	132.1
[M+NH4]+	152.03106	133.4
[M+K]+	172.96040	125.0
[M-H]-	132.98996	125.6
[M+Na-2H]-	154.97191	126.8
[M]+	133.99669	126.9
[M]-	133.99779	126.9

Literature stripe

literature stripe

Patent stripe

patents stripe