CID 12805582

96314-26-0

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

C1[C@H](CN[C@@H]1C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C11H13NO2/c13-11(14)10-6-9(7-12-10)8-4-2-1-3-5-8/h1-5,9-10,12H,6-7H2,(H,13,14)/t9-,10+/m1/s1

InChIKey

JHHOFXBPLJDHOR-ZJUUUORDSA-N

Compound name

(2S,4S)-4-phenylpyrrolidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 425
Patents: 191.09464 Da
Monoisotopic Mass: -1.0
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	142.0
[M+Na]+	214.08386	147.8
[M-H]-	190.08736	144.4
[M+NH4]+	209.12846	160.2
[M+K]+	230.05780	144.3
[M+H-H2O]+	174.09190	135.3
[M+HCOO]-	236.09284	160.6
[M+CH3COO]-	250.10849	176.3
[M+Na-2H]-	212.06931	144.3
[M]+	191.09409	136.6
[M]-	191.09519	136.6

Literature stripe

literature stripe

Patent stripe

patents stripe