CID 23510008

1790213-67-0

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₄

SMILES

C1=CC=C(C=C1)CN2C(=O)C(NC2=O)CC(=O)O

InChI

InChI=1S/C12H12N2O4/c15-10(16)6-9-11(17)14(12(18)13-9)7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,18)(H,15,16)

InChIKey

ZRUYNQKIQVLGMT-UHFFFAOYSA-N

Compound name

2-(1-benzyl-2,5-dioxoimidazolidin-4-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 248.07971 Da
Monoisotopic Mass: 0.2
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	153.7
[M+Na]+	271.068928	161.1
[M-H]-	247.072434	155.3
[M+NH4]+	266.113533	168.4
[M+K]+	287.042868	157.2
[M+H-H2O]+	231.076970	146.2
[M+HCOO]-	293.077911	171.4
[M+CH3COO]-	307.093561	187.3
[M+Na-2H]-	269.054376	154.2
[M]+	248.07916142	151.5
[M]-	248.08025858	151.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe