CID 13366344

1-methyl-1,2,3,4-tetrahydropyrazine-2,3-dione

Structural Information

Molecular Formula
C5H6N2O2
SMILES
CN1C=CNC(=O)C1=O
InChI
InChI=1S/C5H6N2O2/c1-7-3-2-6-4(8)5(7)9/h2-3H,1H3,(H,6,8)
InChIKey
DRAOJHYAARPEKO-UHFFFAOYSA-N
Compound name
4-methyl-1H-pyrazine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

126.04293 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.05021 119.3
[M+Na]+ 149.03215 130.5
[M-H]- 125.03565 119.9
[M+NH4]+ 144.07675 138.7
[M+K]+ 165.00609 128.2
[M+H-H2O]+ 109.04019 113.2
[M+HCOO]- 171.04113 141.9
[M+CH3COO]- 185.05678 166.7
[M+Na-2H]- 147.01760 127.8
[M]+ 126.04238 119.2
[M]- 126.04348 119.2
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