CID 3038161

2-pyridineacetamide, n-methylthio-

Structural Information

Molecular Formula

C₈H₁₀N₂S

SMILES

CNC(=S)CC1=CC=CC=N1

InChI

InChI=1S/C8H10N2S/c1-9-8(11)6-7-4-2-3-5-10-7/h2-5H,6H2,1H3,(H,9,11)

InChIKey

DXHJWUBAENOHGE-UHFFFAOYSA-N

Compound name

N-methyl-2-pyridin-2-ylethanethioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 166.05647 Da
Monoisotopic Mass: 0.4
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]+	167.06375	133.2
[M+Na]+	189.04569	140.6
[M-H]-	165.04919	135.6
[M+NH4]+	184.09029	152.7
[M+K]+	205.01963	137.5
[M+H-H2O]+	149.05373	126.6
[M+HCOO]-	211.05467	151.7
[M+CH3COO]-	225.07032	178.9
[M+Na-2H]-	187.03114	137.8
[M]+	166.05592	133.2
[M]-	166.05702	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe