CID 2777280

175136-93-3

Structural Information

Molecular Formula

C₁₀H₁₁NO₄

SMILES

C1C(CN(C1=O)CC2=CC=CO2)C(=O)O

InChI

InChI=1S/C10H11NO4/c12-9-4-7(10(13)14)5-11(9)6-8-2-1-3-15-8/h1-3,7H,4-6H2,(H,13,14)

InChIKey

NFWHHUCJMAPGHE-UHFFFAOYSA-N

Compound name

1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 78
Patents: 209.0688 Da
Monoisotopic Mass: -0.4
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]+	210.07608	144.7
[M+Na]+	232.05802	153.7
[M+NH4]+	227.10262	151.0
[M+K]+	248.03196	154.1
[M-H]-	208.06152	146.0
[M+Na-2H]-	230.04347	147.5
[M]+	209.06825	145.9
[M]-	209.06935	145.9

Literature stripe

literature stripe

Patent stripe

patents stripe