CID 70701026

5,6-dimethyl-1,2,3,4-tetrahydropyrazine-2,3-dione

Structural Information

Molecular Formula
C6H8N2O2
SMILES
CC1=C(NC(=O)C(=O)N1)C
InChI
InChI=1S/C6H8N2O2/c1-3-4(2)8-6(10)5(9)7-3/h1-2H3,(H,7,9)(H,8,10)
InChIKey
JNUHHWNIVGUCRU-UHFFFAOYSA-N
Compound name
5,6-dimethyl-1,4-dihydropyrazine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

140.05858 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.06586 124.7
[M+Na]+ 163.04780 136.0
[M-H]- 139.05130 124.2
[M+NH4]+ 158.09240 143.1
[M+K]+ 179.02174 132.5
[M+H-H2O]+ 123.05584 119.0
[M+HCOO]- 185.05678 145.5
[M+CH3COO]- 199.07243 168.4
[M+Na-2H]- 161.03325 131.4
[M]+ 140.05803 123.5
[M]- 140.05913 123.5
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