CID 175366

2-ethyl-3-(methylthio)pyrazine

Structural Information

Molecular Formula

C₇H₁₀N₂S

SMILES

CCC1=NC=CN=C1SC

InChI

InChI=1S/C7H10N2S/c1-3-6-7(10-2)9-5-4-8-6/h4-5H,3H2,1-2H3

InChIKey

XYHPPOMSLGJAAM-UHFFFAOYSA-N

Compound name

2-ethyl-3-methylsulfanylpyrazine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 145
Patents: 154.05647 Da
Monoisotopic Mass: 2.2
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]+	155.063746	128.8
[M+Na]+	177.045688	138.5
[M-H]-	153.049194	130.3
[M+NH4]+	172.090293	148.3
[M+K]+	193.019628	135.9
[M+H-H2O]+	137.053730	122.2
[M+HCOO]-	199.054671	146.2
[M+CH3COO]-	213.070321	175.7
[M+Na-2H]-	175.031136	133.8
[M]+	154.05592142	131.5
[M]-	154.05701858	131.5

Literature stripe

literature stripe

Patent stripe

patents stripe