CID 21907105

2402831-16-5

Structural Information

Molecular Formula

C₈H₈N₂O₂

SMILES

C1CNC2=C1C=C(C=N2)C(=O)O

InChI

InChI=1S/C8H8N2O2/c11-8(12)6-3-5-1-2-9-7(5)10-4-6/h3-4H,1-2H2,(H,9,10)(H,11,12)

InChIKey

AZURZTXEHXPEED-UHFFFAOYSA-N

Compound name

2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 164.05858 Da
Monoisotopic Mass: 0.7
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]+	165.06586	132.6
[M+Na]+	187.04780	140.8
[M-H]-	163.05130	131.9
[M+NH4]+	182.09240	151.9
[M+K]+	203.02174	137.7
[M+H-H2O]+	147.05584	126.3
[M+HCOO]-	209.05678	150.7
[M+CH3COO]-	223.07243	171.5
[M+Na-2H]-	185.03325	138.1
[M]+	164.05803	129.5
[M]-	164.05913	129.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe