CID 119896

Pyrazine, 2-hexyl-

Structural Information

Molecular Formula

C₁₀H₁₆N₂

SMILES

CCCCCCC1=NC=CN=C1

InChI

InChI=1S/C10H16N2/c1-2-3-4-5-6-10-9-11-7-8-12-10/h7-9H,2-6H2,1H3

InChIKey

LZQRFVUKPVNFJO-UHFFFAOYSA-N

Compound name

2-hexylpyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 79
Patents: 164.13135 Da
Monoisotopic Mass: 2.7
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	144.4
[M-H]-	163.124074	137.6
[M+NH4]+	182.165173	155.4
[M+K]+	203.094508	142.1
[M+H-H2O]+	147.128610	129.6
[M+HCOO]-	209.129551	158.9
[M+CH3COO]-	223.145201	179.9
[M+Na-2H]-	185.106016	145.2
[M]+	164.13080142	138.6
[M]-	164.13189858	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe