CID 218566

40808-67-1

Structural Information

Molecular Formula

C₉H₁₂N₂S

SMILES

CN(C)C(=S)CC1=CC=CC=N1

InChI

InChI=1S/C9H12N2S/c1-11(2)9(12)7-8-5-3-4-6-10-8/h3-6H,7H2,1-2H3

InChIKey

MQYNCHTZNVAJLR-UHFFFAOYSA-N

Compound name

N,N-dimethyl-2-pyridin-2-ylethanethioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 180.07211 Da
Monoisotopic Mass: 0.5
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]+	181.07939	138.5
[M+Na]+	203.06133	150.3
[M+NH4]+	198.10593	147.6
[M+K]+	219.03527	142.1
[M-H]-	179.06483	141.4
[M+Na-2H]-	201.04678	145.5
[M]+	180.07156	141.5
[M]-	180.07266	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe