CID 4266

Muscimol

Structural Information

Molecular Formula

C₄H₆N₂O₂

SMILES

C1=C(ONC1=O)CN

InChI

InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)

InChIKey

ZJQHPWUVQPJPQT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 5523
References: 3898
Patents: 114.04293 Da
Monoisotopic Mass: -1.4
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]+	115.05021	117.6
[M+Na]+	137.03215	126.9
[M-H]-	113.03565	119.4
[M+NH4]+	132.07675	138.3
[M+K]+	153.00609	126.2
[M+H-H2O]+	97.040190	112.0
[M+HCOO]-	159.04113	141.8
[M+CH3COO]-	173.05678	164.7
[M+Na-2H]-	135.01760	125.1
[M]+	114.04238	116.3
[M]-	114.04348	116.3

Literature stripe

literature stripe

Patent stripe

patents stripe