CID 591606

2,3-diisobutylpyrazine

Structural Information

Molecular Formula

C₁₂H₂₀N₂

SMILES

CC(C)CC1=NC=CN=C1CC(C)C

InChI

InChI=1S/C12H20N2/c1-9(2)7-11-12(8-10(3)4)14-6-5-13-11/h5-6,9-10H,7-8H2,1-4H3

InChIKey

XRQHAPJZNFCOLO-UHFFFAOYSA-N

Compound name

2,3-bis(2-methylpropyl)pyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 192.16264 Da
Monoisotopic Mass: 3.1
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]+	193.169916	146.4
[M+Na]+	215.151858	153.2
[M-H]-	191.155364	147.0
[M+NH4]+	210.196463	163.6
[M+K]+	231.125798	151.2
[M+H-H2O]+	175.159900	138.9
[M+HCOO]-	237.160841	165.4
[M+CH3COO]-	251.176491	188.6
[M+Na-2H]-	213.137306	150.1
[M]+	192.16209142	147.7
[M]-	192.16318858	147.7

Literature stripe

literature stripe

Patent stripe

patents stripe