CID 207982

Dtxsid30953373

Structural Information

Molecular Formula

C₁₀H₁₄N₂S

SMILES

CC1=NC(=CC=C1)CC(=S)N(C)C

InChI

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

InChIKey

LONOFDILBMBXAF-UHFFFAOYSA-N

Compound name

N,N-dimethyl-2-(6-methyl-2-pyridinyl)ethanethioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 194.08777 Da
Monoisotopic Mass: 1.3
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]+	195.095046	141.6
[M+Na]+	217.076988	149.2
[M-H]-	193.080494	145.6
[M+NH4]+	212.121593	161.0
[M+K]+	233.050928	147.1
[M+H-H2O]+	177.085030	134.7
[M+HCOO]-	239.085971	159.8
[M+CH3COO]-	253.101621	189.5
[M+Na-2H]-	215.062436	143.8
[M]+	194.08722142	144.1
[M]-	194.08831858	144.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe