CID 15487677

Rac-ethyl (2r,3s)-3-amino-4,4,4-trifluoro-2-hydroxybutanoate hydrochloride

Structural Information

Molecular Formula
C6H10F3NO3
SMILES
CCOC(=O)[C@H]([C@H](C(F)(F)F)N)O
InChI
InChI=1S/C6H10F3NO3/c1-2-13-5(12)3(11)4(10)6(7,8)9/h3-4,11H,2,10H2,1H3/t3-,4+/m0/s1
InChIKey
OYYQMRFOFIFFPS-IUYQGCFVSA-N
Compound name
ethyl (2S,3R)-3-amino-4,4,4-trifluoro-2-hydroxybutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.06128 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.06856 138.8
[M+Na]+ 224.05050 144.9
[M-H]- 200.05400 133.3
[M+NH4]+ 219.09510 156.4
[M+K]+ 240.02444 144.8
[M+H-H2O]+ 184.05854 131.7
[M+HCOO]- 246.05948 154.7
[M+CH3COO]- 260.07513 183.7
[M+Na-2H]- 222.03595 139.7
[M]+ 201.06073 133.5
[M]- 201.06183 133.5
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

No patent data available for this compound.