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

1
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

literature stripe

Patent stripe

patents stripe