CID 307187

5,6-dimethyl-3-oxo-3,4-dihydropyrazine-2-carboxylic acid

Structural Information

Molecular Formula
C7H8N2O3
SMILES
CC1=C(N=C(C(=O)N1)C(=O)O)C
InChI
InChI=1S/C7H8N2O3/c1-3-4(2)9-6(10)5(8-3)7(11)12/h1-2H3,(H,9,10)(H,11,12)
InChIKey
KAUAWDMQKHADMP-UHFFFAOYSA-N
Compound name
5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

168.0535 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06078 131.6
[M+Na]+ 191.04272 142.1
[M-H]- 167.04622 131.0
[M+NH4]+ 186.08732 148.6
[M+K]+ 207.01666 139.4
[M+H-H2O]+ 151.05076 125.5
[M+HCOO]- 213.05170 151.2
[M+CH3COO]- 227.06735 174.4
[M+Na-2H]- 189.02817 136.5
[M]+ 168.05295 131.5
[M]- 168.05405 131.5
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