CID 12565999

16289-18-2

Structural Information

Molecular Formula
C6H8N2O
SMILES
CC1=CN=C(C(=O)N1)C
InChI
InChI=1S/C6H8N2O/c1-4-3-7-5(2)6(9)8-4/h3H,1-2H3,(H,8,9)
InChIKey
IUNWZLUSFPXBIJ-UHFFFAOYSA-N
Compound name
3,6-dimethyl-1H-pyrazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

48
Patents

124.06366 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.07094 122.6
[M+Na]+ 147.05288 136.5
[M+NH4]+ 142.09748 130.5
[M+K]+ 163.02682 130.7
[M-H]- 123.05638 123.2
[M+Na-2H]- 145.03833 129.6
[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

literature stripe

Patent stripe

patents stripe