CID 84652277

[2-(trifluoromethyl)-1,3-oxazol-4-yl]methanamine

Structural Information

Molecular Formula
C5H5F3N2O
SMILES
C1=C(N=C(O1)C(F)(F)F)CN
InChI
InChI=1S/C5H5F3N2O/c6-5(7,8)4-10-3(1-9)2-11-4/h2H,1,9H2
InChIKey
NCDGBPNIPDNTIN-UHFFFAOYSA-N
Compound name
[2-(trifluoromethyl)-1,3-oxazol-4-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

166.0354 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.04268 134.7
[M+Na]+ 189.02462 142.2
[M+NH4]+ 184.06922 139.8
[M+K]+ 204.99856 140.4
[M-H]- 165.02812 131.8
[M+Na-2H]- 187.01007 137.3
[M]+ 166.03485 134.5
[M]- 166.03595 134.5
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