CID 23372930

4-ethyl-3-(trifluoromethyl)-1,2-oxazol-5-amine

Structural Information

Molecular Formula
C6H7F3N2O
SMILES
CCC1=C(ON=C1C(F)(F)F)N
InChI
InChI=1S/C6H7F3N2O/c1-2-3-4(6(7,8)9)11-12-5(3)10/h2,10H2,1H3
InChIKey
AVUHGIKLRUJOBA-UHFFFAOYSA-N
Compound name
4-ethyl-3-(trifluoromethyl)-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

180.05104 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.05832 139.6
[M+Na]+ 203.04026 147.2
[M+NH4]+ 198.08486 144.6
[M+K]+ 219.01420 145.3
[M-H]- 179.04376 136.7
[M+Na-2H]- 201.02571 141.7
[M]+ 180.05049 139.5
[M]- 180.05159 139.5
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