CID 105433652

2649076-50-4

Structural Information

Molecular Formula
C5H7F3N2O
SMILES
C1C(ON=C1C(F)(F)F)CN
InChI
InChI=1S/C5H7F3N2O/c6-5(7,8)4-1-3(2-9)11-10-4/h3H,1-2,9H2
InChIKey
DVFDZVXCPBWKHI-UHFFFAOYSA-N
Compound name
[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.05104 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.05832 136.5
[M+Na]+ 191.04026 143.2
[M+NH4]+ 186.08486 141.6
[M+K]+ 207.01420 141.5
[M-H]- 167.04376 133.4
[M+Na-2H]- 189.02571 138.2
[M]+ 168.05049 136.1
[M]- 168.05159 136.1
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

No patent data available for this compound.