CID 15157505

1-(4-chlorophenyl)pyrrolidine-2-carboxylicacid

Structural Information

Molecular Formula

C₁₁H₁₂ClNO₂

SMILES

C1CC(N(C1)C2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C11H12ClNO2/c12-8-3-5-9(6-4-8)13-7-1-2-10(13)11(14)15/h3-6,10H,1-2,7H2,(H,14,15)

InChIKey

FQEIGKACEFDJKI-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)pyrrolidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 225.05565 Da
Monoisotopic Mass: 2.8
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]+	226.06293	147.2
[M+Na]+	248.04487	159.4
[M+NH4]+	243.08947	155.5
[M+K]+	264.01881	155.0
[M-H]-	224.04837	149.4
[M+Na-2H]-	246.03032	153.2
[M]+	225.05510	149.7
[M]-	225.05620	149.7

Literature stripe

literature stripe

Patent stripe

patents stripe