CID 520722

2-ethoxy-3-ethylpyrazine

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

CCC1=NC=CN=C1OCC

InChI

InChI=1S/C8H12N2O/c1-3-7-8(11-4-2)10-6-5-9-7/h5-6H,3-4H2,1-2H3

InChIKey

TYSHGGVMHVIOMH-UHFFFAOYSA-N

Compound name

2-ethoxy-3-ethylpyrazine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 179
Patents: 152.09496 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]+	153.10224	131.2
[M+Na]+	175.08418	140.1
[M+NH4]+	170.12878	132.2
[M+K]+	191.05812	150.0
[M-H]-	151.08768	138.7
[M+Na-2H]-	173.06963	124.0
[M]+	152.09441	153.7
[M]-	152.09551	176.9

Literature stripe

literature stripe

Patent stripe

patents stripe