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

5531
References

4533
Patents

114.04293 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.