CID 20543342

4-amino-5,5,5-trifluoropentanoic acid hydrochloride

Structural Information

Molecular Formula
C5H8F3NO2
SMILES
C(CC(=O)O)C(C(F)(F)F)N
InChI
InChI=1S/C5H8F3NO2/c6-5(7,8)3(9)1-2-4(10)11/h3H,1-2,9H2,(H,10,11)
InChIKey
FMHFLFRQGOQLBU-UHFFFAOYSA-N
Compound name
4-amino-5,5,5-trifluoropentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

171.05072 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.05800 131.3
[M+Na]+ 194.03994 138.1
[M-H]- 170.04344 126.0
[M+NH4]+ 189.08454 150.2
[M+K]+ 210.01388 137.1
[M+H-H2O]+ 154.04798 124.5
[M+HCOO]- 216.04892 148.3
[M+CH3COO]- 230.06457 178.3
[M+Na-2H]- 192.02539 133.9
[M]+ 171.05017 124.9
[M]- 171.05127 124.9
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