CID 155943854

Rac-(2r,3r)-1,1,1-trifluoro-3-methoxybutan-2-amine hydrochloride

Structural Information

Molecular Formula
C5H10F3NO
SMILES
C[C@@H]([C@@H](C(F)(F)F)N)OC
InChI
InChI=1S/C5H10F3NO/c1-3(10-2)4(9)5(6,7)8/h3-4H,9H2,1-2H3/t3-,4-/m0/s1
InChIKey
IMIMULCFJQVQIX-IMJSIDKUSA-N
Compound name
(2S,3S)-1,1,1-trifluoro-3-methoxybutan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.07144 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.078716 129.5
[M+Na]+ 180.060658 136.4
[M-H]- 156.064164 125.6
[M+NH4]+ 175.105263 149.9
[M+K]+ 196.034598 136.6
[M+H-H2O]+ 140.068700 122.6
[M+HCOO]- 202.069641 147.5
[M+CH3COO]- 216.085291 179.9
[M+Na-2H]- 178.046106 132.6
[M]+ 157.07089142 124.3
[M]- 157.07198858 124.3
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.