CID 85227

2-butyl-5,6-dihydro-3-methylpyrazine

Structural Information

Molecular Formula

C₉H₁₆N₂

SMILES

CCCCC1=NCCN=C1C

InChI

InChI=1S/C9H16N2/c1-3-4-5-9-8(2)10-6-7-11-9/h3-7H2,1-2H3

InChIKey

PATGXOSMIGXGKT-UHFFFAOYSA-N

Compound name

5-butyl-6-methyl-2,3-dihydropyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 152.13135 Da
Monoisotopic Mass: 0.6
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]+	153.138626	134.5
[M+Na]+	175.120568	141.9
[M-H]-	151.124074	135.0
[M+NH4]+	170.165173	153.3
[M+K]+	191.094508	140.1
[M+H-H2O]+	135.128610	127.3
[M+HCOO]-	197.129551	155.0
[M+CH3COO]-	211.145201	178.3
[M+Na-2H]-	173.106016	141.1
[M]+	152.13080142	134.4
[M]-	152.13189858	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe