CID 565962

3-hydroxypyrazine-2-carboxylic acid

Structural Information

Molecular Formula
C5H4N2O3
SMILES
C1=CN=C(C(=O)N1)C(=O)O
InChI
InChI=1S/C5H4N2O3/c8-4-3(5(9)10)6-1-2-7-4/h1-2H,(H,7,8)(H,9,10)
InChIKey
FJZRUSFQHBBTCC-UHFFFAOYSA-N
Compound name
2-oxo-1H-pyrazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

319
Patents

140.02219 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.02947 123.2
[M+Na]+ 163.01141 132.6
[M-H]- 139.01491 122.1
[M+NH4]+ 158.05601 140.6
[M+K]+ 178.98535 130.3
[M+H-H2O]+ 123.01945 116.9
[M+HCOO]- 185.02039 143.5
[M+CH3COO]- 199.03604 165.9
[M+Na-2H]- 160.99686 130.6
[M]+ 140.02164 121.5
[M]- 140.02274 121.5
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