CID 57558011

(4r)-4-(hydroxymethyl)imidazolidin-2-one

Structural Information

Molecular Formula

C₄H₈N₂O₂

SMILES

C1[C@@H](NC(=O)N1)CO

InChI

InChI=1S/C4H8N2O2/c7-2-3-1-5-4(8)6-3/h3,7H,1-2H2,(H2,5,6,8)/t3-/m1/s1

InChIKey

JDXWVZWFFCLGPU-GSVOUGTGSA-N

Compound name

(4R)-4-(hydroxymethyl)imidazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 116.05858 Da
Monoisotopic Mass: -1.5
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]+	117.065856	123.4
[M+Na]+	139.047798	130.6
[M-H]-	115.051304	120.1
[M+NH4]+	134.092403	142.8
[M+K]+	155.021738	128.2
[M+H-H2O]+	99.055840	117.5
[M+HCOO]-	161.056781	140.8
[M+CH3COO]-	175.072431	159.0
[M+Na-2H]-	137.033246	127.4
[M]+	116.05803142	117.1
[M]-	116.05912858	117.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe