CID 3047051

Brn 0921558

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.08699 155.7
[M+Na]+ 271.06893 165.9
[M+NH4]+ 266.11353 160.5
[M+K]+ 287.04287 164.0
[M-H]- 247.07243 155.0
[M+Na-2H]- 269.05438 158.6
[M]+ 248.07916 156.4
[M]- 248.08026 156.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.