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 135.9
[M+Na]+ 218.05117 145.2
[M-H]- 194.05467 133.4
[M+NH4]+ 213.09577 152.8
[M+K]+ 234.02511 144.1
[M+H-H2O]+ 178.05921 126.6
[M+HCOO]- 240.06015 154.5
[M+CH3COO]- 254.07580 182.9
[M+Na-2H]- 216.03662 141.7
[M]+ 195.06140 132.9
[M]- 195.06250 132.9
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.