CID 2941796

39629-90-8

Structural Information

Molecular Formula

C₁₂H₁₃NO₄

SMILES

COC1=CC=CC=C1N2CC(CC2=O)C(=O)O

InChI

InChI=1S/C12H13NO4/c1-17-10-5-3-2-4-9(10)13-7-8(12(15)16)6-11(13)14/h2-5,8H,6-7H2,1H3,(H,15,16)

InChIKey

BQQBMILQUDEPIK-UHFFFAOYSA-N

Compound name

1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
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]+	236.09174	151.6
[M+Na]+	258.07368	162.2
[M+NH4]+	253.11828	158.0
[M+K]+	274.04762	159.7
[M-H]-	234.07718	152.5
[M+Na-2H]-	256.05913	156.0
[M]+	235.08391	153.0
[M]-	235.08501	153.0

Literature stripe

literature stripe

Patent stripe

patents stripe