CID 54594038

2-[methyl(2,2,2-trifluoroethyl)amino]ethan-1-ol

Structural Information

Molecular Formula
C5H10F3NO
SMILES
CN(CCO)CC(F)(F)F
InChI
InChI=1S/C5H10F3NO/c1-9(2-3-10)4-5(6,7)8/h10H,2-4H2,1H3
InChIKey
YMHYJSJSUSFLMX-UHFFFAOYSA-N
Compound name
2-[methyl(2,2,2-trifluoroethyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

157.07144 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.078716 129.0
[M+Na]+ 180.060658 136.2
[M-H]- 156.064164 125.6
[M+NH4]+ 175.105263 149.7
[M+K]+ 196.034598 136.2
[M+H-H2O]+ 140.068700 122.0
[M+HCOO]- 202.069641 148.7
[M+CH3COO]- 216.085291 179.7
[M+Na-2H]- 178.046106 134.4
[M]+ 157.07089142 125.5
[M]- 157.07198858 125.5
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