CID 3620792

6455-31-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

186
Patents

160.06366 Da
Monoisotopic Mass

2.2
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