CID 32594

2-isobutyl-3-methoxypyrazine

Structural Information

Molecular Formula

C₉H₁₄N₂O

SMILES

CC(C)CC1=NC=CN=C1OC

InChI

InChI=1S/C9H14N2O/c1-7(2)6-8-9(12-3)11-5-4-10-8/h4-5,7H,6H2,1-3H3

InChIKey

UXFSPRAGHGMRSQ-UHFFFAOYSA-N

Compound name

2-methoxy-3-(2-methylpropyl)pyrazine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 107
References: 3566
Patents: 166.11061 Da
Monoisotopic Mass: 2.6
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]+	167.11789	136.1
[M+Na]+	189.09983	149.2
[M+NH4]+	184.14443	144.0
[M+K]+	205.07377	143.1
[M-H]-	165.10333	137.2
[M+Na-2H]-	187.08528	143.0
[M]+	166.11006	138.2
[M]-	166.11116	138.2

Literature stripe

literature stripe

Patent stripe

patents stripe