CID 66289

10191-60-3

Structural Information

Molecular Formula

C₄H₆N₂S₂

SMILES

CSC(=NC#N)SC

InChI

InChI=1S/C4H6N2S2/c1-7-4(8-2)6-3-5/h1-2H3

InChIKey

IULFXBLVJIPESI-UHFFFAOYSA-N

Compound name

bis(methylsulfanyl)methylidenecyanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 2024
Patents: 145.99724 Da
Monoisotopic Mass: 1.9
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]+	147.00452	132.2
[M+Na]+	168.98646	141.9
[M-H]-	144.98996	135.5
[M+NH4]+	164.03106	152.8
[M+K]+	184.96040	141.2
[M+H-H2O]+	128.99450	120.6
[M+HCOO]-	190.99544	143.6
[M+CH3COO]-	205.01109	189.3
[M+Na-2H]-	166.97191	133.8
[M]+	145.99669	130.0
[M]-	145.99779	130.0

Literature stripe

literature stripe

Patent stripe

patents stripe