CID 585963

2,6-dimethyl-3-sec-butylpyrazine

Structural Information

Molecular Formula

C₁₀H₁₆N₂

SMILES

CCC(C)C1=NC=C(N=C1C)C

InChI

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

InChIKey

SIMVTTZOFHKCJB-UHFFFAOYSA-N

Compound name

2-butan-2-yl-3,5-dimethylpyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 164.13135 Da
Monoisotopic Mass: 2.1
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	136.7
[M+Na]+	187.120568	145.5
[M-H]-	163.124074	138.0
[M+NH4]+	182.165173	155.4
[M+K]+	203.094508	143.6
[M+H-H2O]+	147.128610	129.8
[M+HCOO]-	209.129551	157.4
[M+CH3COO]-	223.145201	182.9
[M+Na-2H]-	185.106016	142.0
[M]+	164.13080142	138.2
[M]-	164.13189858	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe