CID 3047051

62848-50-4

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₄

SMILES

CC1=CC=C(C=C1)N2C(=O)C(NC2=O)CC(=O)O

InChI

InChI=1S/C12H12N2O4/c1-7-2-4-8(5-3-7)14-11(17)9(6-10(15)16)13-12(14)18/h2-5,9H,6H2,1H3,(H,13,18)(H,15,16)

InChIKey

UMMVKWKGYCTDPH-UHFFFAOYSA-N

Compound name

2-[1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 248.07971 Da
Monoisotopic Mass: 0.6
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]+	249.086986	153.5
[M+Na]+	271.068928	161.8
[M-H]-	247.072434	155.5
[M+NH4]+	266.113533	168.5
[M+K]+	287.042868	158.0
[M+H-H2O]+	231.076970	146.3
[M+HCOO]-	293.077911	171.1
[M+CH3COO]-	307.093561	188.6
[M+Na-2H]-	269.054376	153.3
[M]+	248.07916142	151.7
[M]-	248.08025858	151.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.