CID 115518645

2230802-79-4

Structural Information

Molecular Formula
C8H14F3NO2
SMILES
C(CCNCCC(=O)O)CC(F)(F)F
InChI
InChI=1S/C8H14F3NO2/c9-8(10,11)4-1-2-5-12-6-3-7(13)14/h12H,1-6H2,(H,13,14)
InChIKey
LEFMEPUYRVIEIE-UHFFFAOYSA-N
Compound name
3-(5,5,5-trifluoropentylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.09766 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.10494 149.1
[M+Na]+ 236.08688 153.7
[M+NH4]+ 231.13148 152.6
[M+K]+ 252.06082 150.2
[M-H]- 212.09038 142.7
[M+Na-2H]- 234.07233 148.8
[M]+ 213.09711 147.2
[M]- 213.09821 147.2
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.