CID 118972738

1888418-59-4

Structural Information

Molecular Formula

C₉H₈N₂O₅

SMILES

C1=COC(=C1)C2C(=O)N(C(=O)N2)CC(=O)O

InChI

InChI=1S/C9H8N2O5/c12-6(13)4-11-8(14)7(10-9(11)15)5-2-1-3-16-5/h1-3,7H,4H2,(H,10,15)(H,12,13)

InChIKey

XMJYXXGETQXLRY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 224.04332 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]+	225.050596	144.5
[M+Na]+	247.032538	152.8
[M-H]-	223.036044	147.4
[M+NH4]+	242.077143	160.6
[M+K]+	263.006478	151.5
[M+H-H2O]+	207.040580	138.3
[M+HCOO]-	269.041521	163.1
[M+CH3COO]-	283.057171	181.0
[M+Na-2H]-	245.017986	145.0
[M]+	224.04277142	144.0
[M]-	224.04386858	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe