CID 167733461

3-cyano-1h-pyrrolo[2,3-b]pyridine-5-carboxylic acid

Structural Information

Molecular Formula
C9H5N3O2
SMILES
C1=C(C=NC2=C1C(=CN2)C#N)C(=O)O
InChI
InChI=1S/C9H5N3O2/c10-2-6-4-12-8-7(6)1-5(3-11-8)9(13)14/h1,3-4H,(H,11,12)(H,13,14)
InChIKey
VXIMYIUSIOXSTG-UHFFFAOYSA-N
Compound name
3-cyano-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.03818 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.04546 140.1
[M+Na]+ 210.02740 151.9
[M+NH4]+ 205.07200 143.6
[M+K]+ 226.00134 145.5
[M-H]- 186.03090 132.4
[M+Na-2H]- 208.01285 142.5
[M]+ 187.03763 138.5
[M]- 187.03873 138.5
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.