CID 1810216

3-aminoisoxazole

Structural Information

Molecular Formula
C3H4N2O
SMILES
C1=CON=C1N
InChI
InChI=1S/C3H4N2O/c4-3-1-2-6-5-3/h1-2H,(H2,4,5)
InChIKey
RHFWLPWDOYJEAL-UHFFFAOYSA-N
Compound name
1,2-oxazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

3913
Patents

84.032364 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.039640 109.9
[M+Na]+ 107.02158 119.0
[M-H]- 83.025088 112.9
[M+NH4]+ 102.06619 132.4
[M+K]+ 122.99552 119.8
[M+H-H2O]+ 67.029624 104.2
[M+HCOO]- 129.03056 135.6
[M+CH3COO]- 143.04622 161.9
[M+Na-2H]- 105.00703 119.2
[M]+ 84.031815 109.1
[M]- 84.032913 109.1
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