CID 11160066

En300-6730227

Structural Information

Molecular Formula

C₁₁H₁₃NO₃

SMILES

C1[C@@H](CN[C@@H]1C(=O)O)OC2=CC=CC=C2

InChI

InChI=1S/C11H13NO3/c13-11(14)10-6-9(7-12-10)15-8-4-2-1-3-5-8/h1-5,9-10,12H,6-7H2,(H,13,14)/t9-,10-/m0/s1

InChIKey

RWSHAZYNUOFZMI-UWVGGRQHSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 27
Patents: 207.08954 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]+	208.09682	144.8
[M+Na]+	230.07876	150.4
[M-H]-	206.08226	147.1
[M+NH4]+	225.12336	162.2
[M+K]+	246.05270	147.4
[M+H-H2O]+	190.08680	137.9
[M+HCOO]-	252.08774	163.6
[M+CH3COO]-	266.10339	178.4
[M+Na-2H]-	228.06421	147.1
[M]+	207.08899	140.8
[M]-	207.09009	140.8

Literature stripe

literature stripe

Patent stripe

patents stripe