CID 3084681

2-isobutyl-3-ethylpyrazine

Structural Information

Molecular Formula

C₁₀H₁₆N₂

SMILES

CCC1=NC=CN=C1CC(C)C

InChI

InChI=1S/C10H16N2/c1-4-9-10(7-8(2)3)12-6-5-11-9/h5-6,8H,4,7H2,1-3H3

InChIKey

TZTYFJFAKSOJEG-UHFFFAOYSA-N

Compound name

2-ethyl-3-(2-methylpropyl)pyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 164.13135 Da
Monoisotopic Mass: 2.3
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]+	165.138626	137.3
[M+Na]+	187.120568	145.1
[M-H]-	163.124074	138.1
[M+NH4]+	182.165173	155.6
[M+K]+	203.094508	143.2
[M+H-H2O]+	147.128610	130.0
[M+HCOO]-	209.129551	157.9
[M+CH3COO]-	223.145201	181.8
[M+Na-2H]-	185.106016	143.2
[M]+	164.13080142	138.4
[M]-	164.13189858	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe