CID 16227736

4-amino-1,1,1-trifluoro-2-(5-methylfuran-2-yl)butan-2-ol

Structural Information

Molecular Formula
C9H12F3NO2
SMILES
CC1=CC=C(O1)C(CCN)(C(F)(F)F)O
InChI
InChI=1S/C9H12F3NO2/c1-6-2-3-7(15-6)8(14,4-5-13)9(10,11)12/h2-3,14H,4-5,13H2,1H3
InChIKey
LGRROCWYDUUILY-UHFFFAOYSA-N
Compound name
4-amino-1,1,1-trifluoro-2-(5-methylfuran-2-yl)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.08202 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.08930 152.2
[M+Na]+ 246.07124 157.9
[M+NH4]+ 241.11584 156.3
[M+K]+ 262.04518 156.7
[M-H]- 222.07474 148.4
[M+Na-2H]- 244.05669 153.0
[M]+ 223.08147 151.4
[M]- 223.08257 151.4
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.