CID 26331

2-ethylpyrazine

Structural Information

Molecular Formula

C₆H₈N₂

SMILES

CCC1=NC=CN=C1

InChI

InChI=1S/C6H8N2/c1-2-6-5-7-3-4-8-6/h3-5H,2H2,1H3

InChIKey

KVFIJIWMDBAGDP-UHFFFAOYSA-N

Compound name

2-ethylpyrazine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 9
References: 7418
Patents: 108.06875 Da
Monoisotopic Mass: 0.7
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]+	109.076026	118.9
[M+Na]+	131.057968	127.7
[M-H]-	107.061474	119.9
[M+NH4]+	126.102573	139.2
[M+K]+	147.031908	126.5
[M+H-H2O]+	91.066010	112.1
[M+HCOO]-	153.066951	141.9
[M+CH3COO]-	167.082601	167.8
[M+Na-2H]-	129.043416	129.0
[M]+	108.06820142	118.8
[M]-	108.06929858	118.8

Literature stripe

literature stripe

Patent stripe

patents stripe