CID 161256

18771-38-5

Structural Information

Molecular Formula

C₈H₁₀N₂S₂

SMILES

CCSC(=C(C#N)C#N)SCC

InChI

InChI=1S/C8H10N2S2/c1-3-11-8(12-4-2)7(5-9)6-10/h3-4H2,1-2H3

InChIKey

FJQWUIXBQMGVPS-UHFFFAOYSA-N

Compound name

2-[bis(ethylsulfanyl)methylidene]propanedinitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 5
Patents: 198.02853 Da
Monoisotopic Mass: 2.1
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]+	199.03581	151.9
[M+Na]+	221.01775	158.3
[M+NH4]+	216.06235	153.0
[M+K]+	236.99169	147.6
[M-H]-	197.02125	141.5
[M+Na-2H]-	219.00320	149.9
[M]+	198.02798	149.1
[M]-	198.02908	149.1

Literature stripe

literature stripe

Patent stripe

patents stripe