CID 3086387

2-isopropoxy-3-methylpyrazine

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

CC1=NC=CN=C1OC(C)C

InChI

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

InChIKey

FRCMVXLVVCXOHO-UHFFFAOYSA-N

Compound name

2-methyl-3-propan-2-yloxypyrazine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 36
Patents: 152.09496 Da
Monoisotopic Mass: 2.2
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]+	153.102236	131.3
[M+Na]+	175.084178	139.9
[M-H]-	151.087684	132.5
[M+NH4]+	170.128783	150.1
[M+K]+	191.058118	139.0
[M+H-H2O]+	135.092220	124.3
[M+HCOO]-	197.093161	152.9
[M+CH3COO]-	211.108811	177.7
[M+Na-2H]-	173.069626	138.3
[M]+	152.09441142	133.1
[M]-	152.09550858	133.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe