CID 572730

2-methyl-6-(3-methylbutyl)pyrazine

Structural Information

Molecular Formula

C₁₀H₁₆N₂

SMILES

CC1=CN=CC(=N1)CCC(C)C

InChI

InChI=1S/C10H16N2/c1-8(2)4-5-10-7-11-6-9(3)12-10/h6-8H,4-5H2,1-3H3

InChIKey

OESNKUIGZMJYKH-UHFFFAOYSA-N

Compound name

2-methyl-6-(3-methylbutyl)pyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 164.13135 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]+	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

literature stripe

Patent stripe

patents stripe