CID 8027173

Methyl 5-hydroxypyrazine-2-carboxylate

Structural Information

Molecular Formula
C6H6N2O3
SMILES
COC(=O)C1=CNC(=O)C=N1
InChI
InChI=1S/C6H6N2O3/c1-11-6(10)4-2-8-5(9)3-7-4/h2-3H,1H3,(H,8,9)
InChIKey
VNFXNPFSTYYFCZ-UHFFFAOYSA-N
Compound name
methyl 6-oxo-1H-pyrazine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

244
Patents

154.03784 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.04512 127.0
[M+Na]+ 177.02706 136.5
[M-H]- 153.03056 127.2
[M+NH4]+ 172.07166 144.8
[M+K]+ 193.00100 135.0
[M+H-H2O]+ 137.03510 120.3
[M+HCOO]- 199.03604 148.5
[M+CH3COO]- 213.05169 170.8
[M+Na-2H]- 175.01251 134.5
[M]+ 154.03729 127.6
[M]- 154.03839 127.6
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