CID 63226873

(2s)-3-[(3,3,3-trifluoropropyl)amino]propane-1,2-diol

Structural Information

Molecular Formula
C6H12F3NO2
SMILES
C(CNC[C@@H](CO)O)C(F)(F)F
InChI
InChI=1S/C6H12F3NO2/c7-6(8,9)1-2-10-3-5(12)4-11/h5,10-12H,1-4H2/t5-/m0/s1
InChIKey
XVHRUYSKNBDAKC-YFKPBYRVSA-N
Compound name
(2S)-3-(3,3,3-trifluoropropylamino)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.08202 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.08930 137.3
[M+Na]+ 210.07124 143.1
[M-H]- 186.07474 130.7
[M+NH4]+ 205.11584 155.2
[M+K]+ 226.04518 141.4
[M+H-H2O]+ 170.07928 130.2
[M+HCOO]- 232.08022 153.8
[M+CH3COO]- 246.09587 179.5
[M+Na-2H]- 208.05669 141.1
[M]+ 187.08147 131.7
[M]- 187.08257 131.7
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.