CID 40059462

1147753-38-5

Structural Information

Molecular Formula

C₉H₈N₂O₂

SMILES

CN1C=CC2=C(C=CN=C21)C(=O)O

InChI

InChI=1S/C9H8N2O2/c1-11-5-3-6-7(9(12)13)2-4-10-8(6)11/h2-5H,1H3,(H,12,13)

InChIKey

FDPGPKFADPMZLJ-UHFFFAOYSA-N

Compound name

1-methylpyrrolo[2,3-b]pyridine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 176.05858 Da
Monoisotopic Mass: 0.8
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]+	177.06586	134.3
[M+Na]+	199.04780	147.7
[M+NH4]+	194.09240	142.1
[M+K]+	215.02174	144.1
[M-H]-	175.05130	134.6
[M+Na-2H]-	197.03325	140.2
[M]+	176.05803	136.1
[M]-	176.05913	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe