CID 20545881

2-(methylsulfanyl)propanenitrile

Structural Information

Molecular Formula

SMILES

CC(C#N)SC

InChI

InChI=1S/C4H7NS/c1-4(3-5)6-2/h4H,1-2H3

InChIKey

WZEZTYBWIUKAJB-UHFFFAOYSA-N

Compound name

2-methylsulfanylpropanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 101.02992 Da
Monoisotopic Mass: 1.1
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]+	102.03720	114.9
[M+Na]+	124.01914	125.3
[M+NH4]+	119.06374	120.9
[M+K]+	139.99308	115.7
[M-H]-	100.02264	108.6
[M+Na-2H]-	122.00459	117.3
[M]+	101.02937	114.1
[M]-	101.03047	114.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe