CID 115518645

3-[(5,5,5-trifluoropentyl)amino]propanoic acid hydrochloride

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 144.8
[M+Na]+ 236.08688 150.4
[M-H]- 212.09038 139.3
[M+NH4]+ 231.13148 162.3
[M+K]+ 252.06082 148.6
[M+H-H2O]+ 196.09492 137.2
[M+HCOO]- 258.09586 162.3
[M+CH3COO]- 272.11151 187.2
[M+Na-2H]- 234.07233 148.1
[M]+ 213.09711 141.2
[M]- 213.09821 141.2
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.