CID 246219

5-aminoisoxazol-3-ol

Structural Information

Molecular Formula
C3H4N2O2
SMILES
C1=C(ONC1=O)N
InChI
InChI=1S/C3H4N2O2/c4-2-1-3(6)5-7-2/h1H,4H2,(H,5,6)
InChIKey
SBAQXOKGHJGIGF-UHFFFAOYSA-N
Compound name
5-amino-1,2-oxazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

100.027275 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.03455 112.9
[M+Na]+ 123.01649 122.7
[M-H]- 99.019999 114.9
[M+NH4]+ 118.06110 134.2
[M+K]+ 138.99043 122.3
[M+H-H2O]+ 83.024535 107.5
[M+HCOO]- 145.02548 137.4
[M+CH3COO]- 159.04113 161.7
[M+Na-2H]- 121.00194 120.9
[M]+ 100.02673 111.3
[M]- 100.02782 111.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe