CID 58035963

Cyanomethyl methyl(4-pyridyl)carbamodithioate

Structural Information

Molecular Formula

C₉H₉N₃S₂

SMILES

CN(C1=CC=NC=C1)C(=S)SCC#N

InChI

InChI=1S/C9H9N3S2/c1-12(9(13)14-7-4-10)8-2-5-11-6-3-8/h2-3,5-6H,7H2,1H3

InChIKey

URLWWHOJXDIKQC-UHFFFAOYSA-N

Compound name

cyanomethyl N-methyl-N-pyridin-4-ylcarbamodithioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 218
Patents: 223.02379 Da
Monoisotopic Mass: 1.5
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]+	224.03107	139.7
[M+Na]+	246.01301	150.0
[M+NH4]+	241.05761	145.1
[M+K]+	261.98695	138.4
[M-H]-	222.01651	135.3
[M+Na-2H]-	243.99846	143.5
[M]+	223.02324	139.9
[M]-	223.02434	139.9

Literature stripe

literature stripe

Patent stripe

patents stripe