CID 137935202

2253640-14-9

Structural Information

Molecular Formula
C7H9F3N2O2
SMILES
C1=COC(=N1)C(CCN)(C(F)(F)F)O
InChI
InChI=1S/C7H9F3N2O2/c8-7(9,10)6(13,1-2-11)5-12-3-4-14-5/h3-4,13H,1-2,11H2
InChIKey
ZYJWMIOEHYZRCX-UHFFFAOYSA-N
Compound name
4-amino-1,1,1-trifluoro-2-(1,3-oxazol-2-yl)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.06161 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.06889 139.2
[M+Na]+ 233.05083 146.9
[M-H]- 209.05433 136.6
[M+NH4]+ 228.09543 155.8
[M+K]+ 249.02477 145.8
[M+H-H2O]+ 193.05887 131.2
[M+HCOO]- 255.05981 155.9
[M+CH3COO]- 269.07546 182.0
[M+Na-2H]- 231.03628 145.9
[M]+ 210.06106 134.6
[M]- 210.06216 134.6
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.