CID 2739289

3-(1,3-oxazol-5-yl)aniline

Structural Information

Molecular Formula
C9H8N2O
SMILES
C1=CC(=CC(=C1)N)C2=CN=CO2
InChI
InChI=1S/C9H8N2O/c10-8-3-1-2-7(4-8)9-5-11-6-12-9/h1-6H,10H2
InChIKey
AIELNJDAOGTASK-UHFFFAOYSA-N
Compound name
3-(1,3-oxazol-5-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

522
Patents

160.06366 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.07094 131.2
[M+Na]+ 183.05288 144.7
[M+NH4]+ 178.09748 140.3
[M+K]+ 199.02682 140.4
[M-H]- 159.05638 136.7
[M+Na-2H]- 181.03833 140.0
[M]+ 160.06311 134.7
[M]- 160.06421 134.7
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