CID 104046259

1909319-53-4

Structural Information

Molecular Formula
C6H8F3N3O
SMILES
C(CC1=NOC(=N1)C(F)(F)F)CN
InChI
InChI=1S/C6H8F3N3O/c7-6(8,9)5-11-4(12-13-5)2-1-3-10/h1-3,10H2
InChIKey
BPWRWNCCWYZZCG-UHFFFAOYSA-N
Compound name
3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.06195 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06923 141.6
[M+Na]+ 218.05117 148.6
[M+NH4]+ 213.09577 145.7
[M+K]+ 234.02511 146.9
[M-H]- 194.05467 137.8
[M+Na-2H]- 216.03662 143.5
[M]+ 195.06140 141.0
[M]- 195.06250 141.0
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.