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 131.5
[M+Na]+ 203.04026 141.7
[M-H]- 179.04376 130.9
[M+NH4]+ 198.08486 150.7
[M+K]+ 219.01420 140.7
[M+H-H2O]+ 163.04830 123.6
[M+HCOO]- 225.04924 151.4
[M+CH3COO]- 239.06489 181.3
[M+Na-2H]- 201.02571 136.8
[M]+ 180.05049 128.4
[M]- 180.05159 128.4
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