CID 520567

5-(sec-butyl)-2,3-dimethylpyrazine

Structural Information

Molecular Formula

C₁₀H₁₆N₂

SMILES

CCC(C)C1=CN=C(C(=N1)C)C

InChI

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

InChIKey

ZTPIKPFNCVSISS-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
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]+	165.13863	137.3
[M+Na]+	187.12057	151.1
[M+NH4]+	182.16517	145.7
[M+K]+	203.09451	144.4
[M-H]-	163.12407	138.9
[M+Na-2H]-	185.10602	144.2
[M]+	164.13080	139.8
[M]-	164.13190	139.8

Literature stripe

literature stripe

Patent stripe

patents stripe