CID 53412682

1190319-72-2

Structural Information

Molecular Formula

C₉H₆N₂O₃

SMILES

C1=C(C2=C(N1)C=NC=C2C(=O)O)C=O

InChI

InChI=1S/C9H6N2O3/c12-4-5-1-11-7-3-10-2-6(8(5)7)9(13)14/h1-4,11H,(H,13,14)

InChIKey

CXGFFXIDPOSHGE-UHFFFAOYSA-N

Compound name

3-formyl-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 190.03784 Da
Monoisotopic Mass: 0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	191.04512	137.5
[M+Na]+	213.02706	149.8
[M+NH4]+	208.07166	143.9
[M+K]+	229.00100	147.0
[M-H]-	189.03056	136.4
[M+Na-2H]-	211.01251	142.1
[M]+	190.03729	138.6
[M]-	190.03839	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe