CID 43559962

Mfcd35255617

Structural Information

Molecular Formula
C6H8F3N3O
SMILES
CC(C)(C1=NOC(=N1)C(F)(F)F)N
InChI
InChI=1S/C6H8F3N3O/c1-5(2,10)3-11-4(13-12-3)6(7,8)9/h10H2,1-2H3
InChIKey
YHRYXQOEPLVBBX-UHFFFAOYSA-N
Compound name
2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.06195 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06923 136.3
[M+Na]+ 218.05117 145.9
[M-H]- 194.05467 134.3
[M+NH4]+ 213.09577 153.3
[M+K]+ 234.02511 145.3
[M+H-H2O]+ 178.05921 127.8
[M+HCOO]- 240.06015 153.2
[M+CH3COO]- 254.07580 183.4
[M+Na-2H]- 216.03662 143.0
[M]+ 195.06140 132.7
[M]- 195.06250 132.7
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.