CID 651721

72548-79-9

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

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

InChI

InChI=1S/C11H13NO2/c13-11(14)9-4-3-5-10(8-9)12-6-1-2-7-12/h3-5,8H,1-2,6-7H2,(H,13,14)

InChIKey

HRVWGEKZONYEMK-UHFFFAOYSA-N

Compound name

3-pyrrolidin-1-ylbenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 123
Patents: 191.09464 Da
Monoisotopic Mass: 3.1
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]+	192.10192	142.6
[M+Na]+	214.08386	153.6
[M+NH4]+	209.12846	150.6
[M+K]+	230.05780	149.8
[M-H]-	190.08736	144.7
[M+Na-2H]-	212.06931	148.7
[M]+	191.09409	144.5
[M]-	191.09519	144.5

Literature stripe

literature stripe

Patent stripe

patents stripe