CID 117601

3-ethyl-1,2-dihydropyrazin-2-one hydrochloride

Structural Information

Molecular Formula
C6H8N2O
SMILES
CCC1=NC=CNC1=O
InChI
InChI=1S/C6H8N2O/c1-2-5-6(9)8-4-3-7-5/h3-4H,2H2,1H3,(H,8,9)
InChIKey
USXFUKQCOMJBKF-UHFFFAOYSA-N
Compound name
3-ethyl-1H-pyrazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

124.06366 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.07094 122.8
[M+Na]+ 147.05288 136.3
[M+NH4]+ 142.09748 130.6
[M+K]+ 163.02682 130.3
[M-H]- 123.05638 123.3
[M+Na-2H]- 145.03833 130.0
[M]+ 124.06311 124.7
[M]- 124.06421 124.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe