CID 16640638

832740-15-5

Structural Information

Molecular Formula
C9H8N2O
SMILES
C1=CC(=CC(=C1)N)C2=CC=NO2
InChI
InChI=1S/C9H8N2O/c10-8-3-1-2-7(6-8)9-4-5-11-12-9/h1-6H,10H2
InChIKey
JBFVFIPIWPLRNB-UHFFFAOYSA-N
Compound name
3-(1,2-oxazol-5-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
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 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

No literature data available for this compound.

Patent stripe

patents stripe