CID 131354210

5-methyl-6-(methylsulfanyl)pyridine-2-carbaldehyde

Structural Information

Molecular Formula

SMILES

CC1=C(N=C(C=C1)C=O)SC

InChI

InChI=1S/C8H9NOS/c1-6-3-4-7(5-10)9-8(6)11-2/h3-5H,1-2H3

InChIKey

LZSYHKFFKKDHBT-UHFFFAOYSA-N

Compound name

5-methyl-6-methylsulfanylpyridine-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 167.04048 Da
Monoisotopic Mass: 1.9
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]+	168.04776	130.9
[M+Na]+	190.02970	141.2
[M-H]-	166.03320	134.2
[M+NH4]+	185.07430	151.4
[M+K]+	206.00364	138.3
[M+H-H2O]+	150.03774	125.1
[M+HCOO]-	212.03868	149.7
[M+CH3COO]-	226.05433	178.2
[M+Na-2H]-	188.01515	134.9
[M]+	167.03993	134.6
[M]-	167.04103	134.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe