CID 71332208

99940-64-4

Structural Information

Molecular Formula

C₁₂H₁₃NO₄

SMILES

C1C(CN(C1=O)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C12H13NO4/c14-11-6-10(12(15)16)7-13(11)17-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,15,16)

InChIKey

WDFHLEMSQSCONQ-UHFFFAOYSA-N

Compound name

5-oxo-1-phenylmethoxypyrrolidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 235.08446 Da
Monoisotopic Mass: 0.5
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]+	236.091736	150.1
[M+Na]+	258.073678	156.7
[M-H]-	234.077184	154.0
[M+NH4]+	253.118283	167.2
[M+K]+	274.047618	154.4
[M+H-H2O]+	218.081720	142.9
[M+HCOO]-	280.082661	170.4
[M+CH3COO]-	294.098311	186.4
[M+Na-2H]-	256.059126	151.8
[M]+	235.08391142	149.5
[M]-	235.08500858	149.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe