CID 478006

5-(2-hydroxybenzoyl)pyrazine-2-carboxylic acid

Structural Information

Molecular Formula
C12H8N2O4
SMILES
C1=CC=C(C(=C1)C(=O)C2=CN=C(C=N2)C(=O)O)O
InChI
InChI=1S/C12H8N2O4/c15-10-4-2-1-3-7(10)11(16)8-5-14-9(6-13-8)12(17)18/h1-6,15H,(H,17,18)
InChIKey
UYWHNBISXSMCAV-UHFFFAOYSA-N
Compound name
5-(2-hydroxybenzoyl)pyrazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

244.0484 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.05568 150.6
[M+Na]+ 267.03762 158.7
[M-H]- 243.04112 152.6
[M+NH4]+ 262.08222 163.4
[M+K]+ 283.01156 155.3
[M+H-H2O]+ 227.04566 142.3
[M+HCOO]- 289.04660 169.2
[M+CH3COO]- 303.06225 187.3
[M+Na-2H]- 265.02307 155.2
[M]+ 244.04785 150.1
[M]- 244.04895 150.1
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

No patent data available for this compound.