CID 4962467

150376-36-6

Structural Information

Molecular Formula

C₆H₈N₂O₄

SMILES

CN1CC(=O)N(C1=O)CC(=O)O

InChI

InChI=1S/C6H8N2O4/c1-7-2-4(9)8(6(7)12)3-5(10)11/h2-3H2,1H3,(H,10,11)

InChIKey

FQTJZLUYYAUJSV-UHFFFAOYSA-N

Compound name

2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 172.0484 Da
Monoisotopic Mass: -1.1
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]+	173.05568	132.0
[M+Na]+	195.03762	141.3
[M-H]-	171.04112	132.2
[M+NH4]+	190.08222	151.0
[M+K]+	211.01156	140.4
[M+H-H2O]+	155.04566	126.2
[M+HCOO]-	217.04660	151.7
[M+CH3COO]-	231.06225	175.9
[M+Na-2H]-	193.02307	133.9
[M]+	172.04785	132.0
[M]-	172.04895	132.0

Literature stripe

literature stripe

Patent stripe

patents stripe