CID 529437

2-oxo-1-methyl-3-isopropylpyrazine

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

CC(C)C1=NC=CN(C1=O)C

InChI

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

InChIKey

DPPMIAOELVJMCJ-UHFFFAOYSA-N

Compound name

1-methyl-3-propan-2-ylpyrazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 152.09496 Da
Monoisotopic Mass: 0.5
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	129.7
[M+Na]+	175.084178	139.6
[M-H]-	151.087684	131.4
[M+NH4]+	170.128783	148.9
[M+K]+	191.058118	138.1
[M+H-H2O]+	135.092220	123.1
[M+HCOO]-	197.093161	151.5
[M+CH3COO]-	211.108811	178.0
[M+Na-2H]-	173.069626	136.1
[M]+	152.09441142	131.3
[M]-	152.09550858	131.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe