CID 4739091

Pyrido[2,3-b]pyrazine-6-carboxylic acid

Structural Information

Molecular Formula
C8H5N3O2
SMILES
C1=CC(=NC2=NC=CN=C21)C(=O)O
InChI
InChI=1S/C8H5N3O2/c12-8(13)6-2-1-5-7(11-6)10-4-3-9-5/h1-4H,(H,12,13)
InChIKey
HOBUKUYGYYLBAA-UHFFFAOYSA-N
Compound name
pyrido[2,3-b]pyrazine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.03818 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.045456 133.6
[M+Na]+ 198.027398 143.4
[M-H]- 174.030904 133.2
[M+NH4]+ 193.072003 149.9
[M+K]+ 214.001338 140.3
[M+H-H2O]+ 158.035440 125.7
[M+HCOO]- 220.036381 152.5
[M+CH3COO]- 234.052031 146.2
[M+Na-2H]- 196.012846 143.4
[M]+ 175.03763142 133.5
[M]- 175.03872858 133.5
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

No patent data available for this compound.