CID 76852387

5h-cyclopentapyrazine, 5-ethyl-6,7-dihydro-

Structural Information

Molecular Formula

C₉H₁₂N₂

SMILES

CCC1CCC2=NC=CN=C12

InChI

InChI=1S/C9H12N2/c1-2-7-3-4-8-9(7)11-6-5-10-8/h5-7H,2-4H2,1H3

InChIKey

YYNBADKNRLCDCG-UHFFFAOYSA-N

Compound name

5-ethyl-6,7-dihydro-5H-cyclopenta[b]pyrazine

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 0
Patents: 148.10005 Da
Monoisotopic Mass: 1.2
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]+	149.107326	130.6
[M+Na]+	171.089268	139.5
[M-H]-	147.092774	132.4
[M+NH4]+	166.133873	152.3
[M+K]+	187.063208	137.0
[M+H-H2O]+	131.097310	123.6
[M+HCOO]-	193.098251	151.9
[M+CH3COO]-	207.113901	144.3
[M+Na-2H]-	169.074716	137.6
[M]+	148.09950142	130.1
[M]-	148.10059858	130.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.