CID 261201

5-amino-3-phenylisoxazole

Structural Information

Molecular Formula
C9H8N2O
SMILES
C1=CC=C(C=C1)C2=NOC(=C2)N
InChI
InChI=1S/C9H8N2O/c10-9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H,10H2
InChIKey
HLOHVVZZMMMDMM-UHFFFAOYSA-N
Compound name
3-phenyl-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

259
Patents

160.06366 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.07094 130.1
[M+Na]+ 183.05288 139.0
[M-H]- 159.05638 136.3
[M+NH4]+ 178.09748 149.5
[M+K]+ 199.02682 137.4
[M+H-H2O]+ 143.06092 123.1
[M+HCOO]- 205.06186 155.4
[M+CH3COO]- 219.07751 144.6
[M+Na-2H]- 181.03833 137.8
[M]+ 160.06311 129.5
[M]- 160.06421 129.5
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