CID 65955

Dimiracetam

Structural Information

Molecular Formula

C₆H₈N₂O₂

SMILES

C1CC(=O)N2C1NC(=O)C2

InChI

InChI=1S/C6H8N2O2/c9-5-3-8-4(7-5)1-2-6(8)10/h4H,1-3H2,(H,7,9)

InChIKey

XTXXOHPHLNROBN-UHFFFAOYSA-N

Compound name

3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 7
References: 588
Patents: 140.05858 Da
Monoisotopic Mass: -0.9
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]+	141.065856	128.1
[M+Na]+	163.047798	136.8
[M-H]-	139.051304	128.7
[M+NH4]+	158.092403	150.9
[M+K]+	179.021738	134.9
[M+H-H2O]+	123.055840	122.5
[M+HCOO]-	185.056781	147.3
[M+CH3COO]-	199.072431	168.7
[M+Na-2H]-	161.033246	130.9
[M]+	140.05803142	124.3
[M]-	140.05912858	124.3

Literature stripe

literature stripe

Patent stripe

patents stripe