CID 269643

66933-69-5

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₂

SMILES

C1CCN(C1)C2=CC(=NC=C2)C(=O)O

InChI

InChI=1S/C10H12N2O2/c13-10(14)9-7-8(3-4-11-9)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H,13,14)

InChIKey

BFBSDJMGXPOZJS-UHFFFAOYSA-N

Compound name

4-pyrrolidin-1-ylpyridine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 21
Patents: 192.08987 Da
Monoisotopic Mass: 1.3
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]+	193.097146	141.1
[M+Na]+	215.079088	147.7
[M-H]-	191.082594	143.6
[M+NH4]+	210.123693	158.6
[M+K]+	231.053028	145.2
[M+H-H2O]+	175.087130	133.3
[M+HCOO]-	237.088071	160.2
[M+CH3COO]-	251.103721	178.6
[M+Na-2H]-	213.064536	144.3
[M]+	192.08932142	137.8
[M]-	192.09041858	137.8

Literature stripe

literature stripe

Patent stripe

patents stripe