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

10
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 126.7
[M+Na]+ 189.02462 136.4
[M-H]- 165.02812 125.8
[M+NH4]+ 184.06922 146.1
[M+K]+ 204.99856 135.7
[M+H-H2O]+ 149.03266 118.6
[M+HCOO]- 211.03360 146.9
[M+CH3COO]- 225.04925 177.1
[M+Na-2H]- 187.01007 133.2
[M]+ 166.03485 122.8
[M]- 166.03595 122.8
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