CID 517747

4-(1,3-oxazol-5-yl)aniline

Structural Information

Molecular Formula
C9H8N2O
SMILES
C1=CC(=CC=C1C2=CN=CO2)N
InChI
InChI=1S/C9H8N2O/c10-8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H,10H2
InChIKey
SLJBMRSOKUTXDF-UHFFFAOYSA-N
Compound name
4-(1,3-oxazol-5-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

390
Patents

160.06366 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.070936 130.1
[M+Na]+ 183.052878 139.0
[M-H]- 159.056384 136.3
[M+NH4]+ 178.097483 149.5
[M+K]+ 199.026818 137.4
[M+H-H2O]+ 143.060920 123.1
[M+HCOO]- 205.061861 155.4
[M+CH3COO]- 219.077511 144.6
[M+Na-2H]- 181.038326 137.8
[M]+ 160.06311142 129.5
[M]- 160.06420858 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