CID 33166

2-isopropyl-3-methoxypyrazine

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

CC(C)C1=NC=CN=C1OC

InChI

InChI=1S/C8H12N2O/c1-6(2)7-8(11-3)10-5-4-9-7/h4-6H,1-3H3

InChIKey

NTOPKICPEQUPPH-UHFFFAOYSA-N

Compound name

2-methoxy-3-propan-2-ylpyrazine

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 56
References: 3635
Patents: 152.09496 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]+	153.10224	131.3
[M+Na]+	175.08418	139.9
[M-H]-	151.08768	132.5
[M+NH4]+	170.12878	150.1
[M+K]+	191.05812	139.0
[M+H-H2O]+	135.09222	124.3
[M+HCOO]-	197.09316	152.9
[M+CH3COO]-	211.10881	177.7
[M+Na-2H]-	173.06963	138.3
[M]+	152.09441	133.1
[M]-	152.09551	133.1

Literature stripe

literature stripe

Patent stripe

patents stripe