CID 12306192

5h-cyclopentapyrazine

Structural Information

Molecular Formula

C₇H₆N₂

SMILES

C1C=CC2=NC=CN=C21

InChI

InChI=1S/C7H6N2/c1-2-6-7(3-1)9-5-4-8-6/h1-2,4-5H,3H2

InChIKey

RNVGIKWJGFOBOF-UHFFFAOYSA-N

Compound name

7H-cyclopenta[b]pyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 225
Patents: 118.0531 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]+	119.06038	119.4
[M+Na]+	141.04232	129.2
[M-H]-	117.04582	121.5
[M+NH4]+	136.08692	142.1
[M+K]+	157.01626	127.1
[M+H-H2O]+	101.05036	112.6
[M+HCOO]-	163.05130	142.8
[M+CH3COO]-	177.06695	134.2
[M+Na-2H]-	139.02777	129.3
[M]+	118.05255	119.2
[M]-	118.05365	119.2

Literature stripe

literature stripe

Patent stripe

patents stripe