CID 84144

13997-95-0

Structural Information

Molecular Formula

C₈H₁₀N₂S₂

SMILES

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

InChI

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

InChIKey

ITZIFGHDBMXDGN-UHFFFAOYSA-N

Compound name

bis(prop-2-enylsulfanyl)methylidenecyanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 198.02853 Da
Monoisotopic Mass: 3.2
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	137.7
[M+Na]+	221.01775	145.9
[M+NH4]+	216.06235	142.4
[M+K]+	236.99169	134.0
[M-H]-	197.02125	131.4
[M+Na-2H]-	219.00320	138.2
[M]+	198.02798	136.9
[M]-	198.02908	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe