CID 53714679

Schembl4263732

Structural Information

Molecular Formula

C₄H₆N₂O₂

SMILES

CC1=C(NC(=O)N1)O

InChI

InChI=1S/C4H6N2O2/c1-2-3(7)6-4(8)5-2/h7H,1H3,(H2,5,6,8)

InChIKey

VBPFHJBRXZWCDM-UHFFFAOYSA-N

Compound name

4-hydroxy-5-methyl-1,3-dihydroimidazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 515
Patents: 114.04293 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]+	115.050206	119.3
[M+Na]+	137.032148	129.5
[M-H]-	113.035654	117.1
[M+NH4]+	132.076753	139.4
[M+K]+	153.006088	126.6
[M+H-H2O]+	97.040190	113.9
[M+HCOO]-	159.041131	139.6
[M+CH3COO]-	173.056781	159.5
[M+Na-2H]-	135.017596	124.6
[M]+	114.04238142	116.3
[M]-	114.04347858	116.3

Literature stripe

literature stripe

Patent stripe

patents stripe