CID 3047784

N-methylmuscimol

Structural Information

Molecular Formula

C₅H₈N₂O₂

SMILES

CNCC1=CC(=O)NO1

InChI

InChI=1S/C5H8N2O2/c1-6-3-4-2-5(8)7-9-4/h2,6H,3H2,1H3,(H,7,8)

InChIKey

APZVGCQAWIFTFI-UHFFFAOYSA-N

Compound name

5-(methylaminomethyl)-1,2-oxazol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 21
Patents: 128.05858 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]+	129.065856	121.9
[M+Na]+	151.047798	130.7
[M-H]-	127.051304	124.0
[M+NH4]+	146.092403	142.3
[M+K]+	167.021738	130.2
[M+H-H2O]+	111.055840	116.1
[M+HCOO]-	173.056781	146.4
[M+CH3COO]-	187.072431	168.4
[M+Na-2H]-	149.033246	129.8
[M]+	128.05803142	122.0
[M]-	128.05912858	122.0

Literature stripe

literature stripe

Patent stripe

patents stripe