CID 3038160

Ag 53

Structural Information

Molecular Formula

C₁₀H₁₄N₂S

SMILES

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

InChI

InChI=1S/C10H14N2S/c1-3-11-10(13)7-9-6-4-5-8(2)12-9/h4-6H,3,7H2,1-2H3,(H,11,13)

InChIKey

QRGFGDGAQDAHBG-UHFFFAOYSA-N

Compound name

N-ethyl-2-(6-methylpyridin-2-yl)ethanethioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 194.08777 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]+	195.09505	141.8
[M+Na]+	217.07699	149.3
[M-H]-	193.08049	144.2
[M+NH4]+	212.12159	160.5
[M+K]+	233.05093	145.7
[M+H-H2O]+	177.08503	135.1
[M+HCOO]-	239.08597	159.6
[M+CH3COO]-	253.10162	186.0
[M+Na-2H]-	215.06244	144.7
[M]+	194.08722	142.9
[M]-	194.08832	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe