CID 4617348

5731-18-0

Structural Information

Molecular Formula

C₁₂H₁₅NO₂

SMILES

C1CN(CC1C(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C12H15NO2/c14-12(15)11-6-7-13(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,15)

InChIKey

RLRDUQNUBMAYDS-UHFFFAOYSA-N

Compound name

1-benzylpyrrolidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 138
Patents: 205.11028 Da
Monoisotopic Mass: -0.9
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]+	206.11756	147.1
[M+Na]+	228.09950	157.9
[M+NH4]+	223.14410	154.9
[M+K]+	244.07344	153.8
[M-H]-	204.10300	149.1
[M+Na-2H]-	226.08495	152.9
[M]+	205.10973	148.9
[M]-	205.11083	148.9

Literature stripe

literature stripe

Patent stripe

patents stripe