CID 3157294

25860-44-0

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

C1CC(NC1)(C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C11H13NO2/c13-10(14)11(7-4-8-12-11)9-5-2-1-3-6-9/h1-3,5-6,12H,4,7-8H2,(H,13,14)

InChIKey

CQAXKUDMMFGQDY-UHFFFAOYSA-N

Compound name

2-phenylpyrrolidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 129
Patents: 191.09464 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]+	192.10192	142.7
[M+Na]+	214.08386	148.5
[M-H]-	190.08736	145.1
[M+NH4]+	209.12846	162.6
[M+K]+	230.05780	145.2
[M+H-H2O]+	174.09190	136.4
[M+HCOO]-	236.09284	161.3
[M+CH3COO]-	250.10849	174.7
[M+Na-2H]-	212.06931	146.7
[M]+	191.09409	137.3
[M]-	191.09519	137.3

Literature stripe

literature stripe

Patent stripe

patents stripe