CID 44327835

2-isopropyl-3,5-dimethoxy-6-methylpyrazine

Structural Information

Molecular Formula

C₁₀H₁₆N₂O₂

SMILES

CC1=C(N=C(C(=N1)C(C)C)OC)OC

InChI

InChI=1S/C10H16N2O2/c1-6(2)8-10(14-5)12-9(13-4)7(3)11-8/h6H,1-5H3

InChIKey

RPOATJOHCIPTNJ-UHFFFAOYSA-N

Compound name

2,6-dimethoxy-3-methyl-5-propan-2-ylpyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 196.12119 Da
Monoisotopic Mass: 2.0
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]+	197.12847	142.8
[M+Na]+	219.11041	152.4
[M-H]-	195.11391	144.4
[M+NH4]+	214.15501	160.4
[M+K]+	235.08435	151.5
[M+H-H2O]+	179.11845	135.7
[M+HCOO]-	241.11939	163.9
[M+CH3COO]-	255.13504	188.1
[M+Na-2H]-	217.09586	147.2
[M]+	196.12064	147.6
[M]-	196.12174	147.6

Literature stripe

literature stripe

Patent stripe

patents stripe