CID 26596529

Methyl 2-amino-3,3,3-trifluoro-2-methylpropanoate hydrochloride

Structural Information

Molecular Formula
C5H8F3NO2
SMILES
C[C@@](C(=O)OC)(C(F)(F)F)N
InChI
InChI=1S/C5H8F3NO2/c1-4(9,3(10)11-2)5(6,7)8/h9H2,1-2H3/t4-/m1/s1
InChIKey
RLPDNZHFLNFZOX-SCSAIBSYSA-N
Compound name
methyl (2R)-2-amino-3,3,3-trifluoro-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

171.05072 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.05800 130.2
[M+Na]+ 194.03994 138.1
[M-H]- 170.04344 126.6
[M+NH4]+ 189.08454 150.1
[M+K]+ 210.01388 138.1
[M+H-H2O]+ 154.04798 123.8
[M+HCOO]- 216.04892 148.1
[M+CH3COO]- 230.06457 179.8
[M+Na-2H]- 192.02539 135.5
[M]+ 171.05017 125.8
[M]- 171.05127 125.8
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.