CID 13804278

4-aminoisoxazole

Structural Information

Molecular Formula
C3H4N2O
SMILES
C1=C(C=NO1)N
InChI
InChI=1S/C3H4N2O/c4-3-1-5-6-2-3/h1-2H,4H2
InChIKey
CVCYZCBJCQXUCN-UHFFFAOYSA-N
Compound name
1,2-oxazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

534
Patents

84.032364 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.039640 110.8
[M+Na]+ 107.02158 122.1
[M+NH4]+ 102.06619 119.5
[M+K]+ 122.99552 119.4
[M-H]- 83.025088 113.5
[M+Na-2H]- 105.00703 117.1
[M]+ 84.031815 112.9
[M]- 84.032913 112.9
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