CID 482259

2-(methylsulfinylacetyl) pyrazine

Structural Information

Molecular Formula

C₇H₈N₂O₂S

SMILES

CS(=O)CC(=O)C1=NC=CN=C1

InChI

InChI=1S/C7H8N2O2S/c1-12(11)5-7(10)6-4-8-2-3-9-6/h2-4H,5H2,1H3

InChIKey

JZWHDWGNBKDTRV-UHFFFAOYSA-N

Compound name

2-methylsulfinyl-1-pyrazin-2-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 184.03065 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]+	185.03793	135.0
[M+Na]+	207.01987	143.5
[M-H]-	183.02337	136.3
[M+NH4]+	202.06447	152.5
[M+K]+	222.99381	141.5
[M+H-H2O]+	167.02791	128.0
[M+HCOO]-	229.02885	151.2
[M+CH3COO]-	243.04450	178.6
[M+Na-2H]-	205.00532	138.6
[M]+	184.03010	137.6
[M]-	184.03120	137.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.