CID 55265416

1-isocyano-2-(methylsulfanyl)ethane

Structural Information

Molecular Formula

SMILES

CSCC[N+]#[C-]

InChI

InChI=1S/C4H7NS/c1-5-3-4-6-2/h3-4H2,2H3

InChIKey

FGQBPVHOUBONEN-UHFFFAOYSA-N

Compound name

1-isocyano-2-methylsulfanylethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 101.02992 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]+	102.03720	112.2
[M+Na]+	124.01914	124.3
[M+NH4]+	119.06374	118.8
[M+K]+	139.99308	115.4
[M-H]-	100.02264	107.2
[M+Na-2H]-	122.00459	115.0
[M]+	101.02937	112.1
[M]-	101.03047	112.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe