CID 21956273

1260665-66-4

Structural Information

Molecular Formula

C₈H₆N₂O₃

SMILES

C1C2=C(NC1=O)N=CC(=C2)C(=O)O

InChI

InChI=1S/C8H6N2O3/c11-6-2-4-1-5(8(12)13)3-9-7(4)10-6/h1,3H,2H2,(H,12,13)(H,9,10,11)

InChIKey

BYZOIYCXPDKZRR-UHFFFAOYSA-N

Compound name

2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 178.03784 Da
Monoisotopic Mass: -0.4
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]+	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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe