CID 76847297

1190310-95-2

Structural Information

Molecular Formula
C8H6N2O3
SMILES
C1C2=C(C=CN=C2NC1=O)C(=O)O
InChI
InChI=1S/C8H6N2O3/c11-6-3-5-4(8(12)13)1-2-9-7(5)10-6/h1-2H,3H2,(H,12,13)(H,9,10,11)
InChIKey
KLFGKBLJFXZSJO-UHFFFAOYSA-N
Compound name
2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.03784 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.04512 135.5
[M+Na]+ 201.02706 146.1
[M+NH4]+ 196.07166 142.0
[M+K]+ 217.00100 144.0
[M-H]- 177.03056 134.0
[M+Na-2H]- 199.01251 138.6
[M]+ 178.03729 136.1
[M]- 178.03839 136.1
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.