CID 103404

Pyrazine, 2-ethoxymethyl-

Structural Information

Molecular Formula

C₇H₁₀N₂O

SMILES

CCOCC1=NC=CN=C1

InChI

InChI=1S/C7H10N2O/c1-2-10-6-7-5-8-3-4-9-7/h3-5H,2,6H2,1H3

InChIKey

HAKYWHMNHHQQJR-UHFFFAOYSA-N

Compound name

2-(ethoxymethyl)pyrazine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 36
Patents: 138.07932 Da
Monoisotopic Mass: -0.2
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]+	139.08660	126.8
[M+Na]+	161.06854	135.1
[M-H]-	137.07204	127.6
[M+NH4]+	156.11314	145.8
[M+K]+	177.04248	134.0
[M+H-H2O]+	121.07658	119.5
[M+HCOO]-	183.07752	149.6
[M+CH3COO]-	197.09317	172.8
[M+Na-2H]-	159.05399	136.3
[M]+	138.07877	128.4
[M]-	138.07987	128.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe