CID 6429218

2-methoxy-3,5-dimethylpyrazine

Structural Information

Molecular Formula

C₇H₁₀N₂O

SMILES

CC1=CN=C(C(=N1)C)OC

InChI

InChI=1S/C7H10N2O/c1-5-4-8-7(10-3)6(2)9-5/h4H,1-3H3

InChIKey

BXKLSVWRSUPMBO-UHFFFAOYSA-N

Compound name

2-methoxy-3,5-dimethylpyrazine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 10
References: 67
Patents: 138.07932 Da
Monoisotopic Mass: 0.9
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]+	139.086596	126.2
[M+Na]+	161.068538	136.5
[M-H]-	137.072044	127.9
[M+NH4]+	156.113143	146.0
[M+K]+	177.042478	135.4
[M+H-H2O]+	121.076580	119.6
[M+HCOO]-	183.077521	149.1
[M+CH3COO]-	197.093171	175.0
[M+Na-2H]-	159.053986	134.3
[M]+	138.07877142	128.7
[M]-	138.07986858	128.7

Literature stripe

literature stripe

Patent stripe

patents stripe