CID 67286203

1279202-47-9

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂

SMILES

C1=CC2=C(N=C1)N(C=C2)CCC(=O)O

InChI

InChI=1S/C10H10N2O2/c13-9(14)4-7-12-6-3-8-2-1-5-11-10(8)12/h1-3,5-6H,4,7H2,(H,13,14)

InChIKey

KNBIEZUXUHXIQJ-UHFFFAOYSA-N

Compound name

3-pyrrolo[2,3-b]pyridin-1-ylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 190.07423 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]+	191.081506	138.5
[M+Na]+	213.063448	148.3
[M-H]-	189.066954	139.6
[M+NH4]+	208.108053	157.7
[M+K]+	229.037388	145.1
[M+H-H2O]+	173.071490	131.5
[M+HCOO]-	235.072431	160.3
[M+CH3COO]-	249.088081	179.4
[M+Na-2H]-	211.048896	145.4
[M]+	190.07368142	140.8
[M]-	190.07477858	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe