CID 7009573

L-lysine, n6-(2,2,2-trifluoroacetyl)-

Structural Information

Molecular Formula
C8H13F3N2O3
SMILES
C(CCNC(=O)C(F)(F)F)C[C@@H](C(=O)O)N
InChI
InChI=1S/C8H13F3N2O3/c9-8(10,11)7(16)13-4-2-1-3-5(12)6(14)15/h5H,1-4,12H2,(H,13,16)(H,14,15)/t5-/m0/s1
InChIKey
PZZHRSVBHRVIMI-YFKPBYRVSA-N
Compound name
(2S)-2-amino-6-[(2,2,2-trifluoroacetyl)amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

389
Patents

242.08783 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.09511 150.1
[M+Na]+ 265.07705 154.7
[M-H]- 241.08055 144.2
[M+NH4]+ 260.12165 165.6
[M+K]+ 281.05099 153.6
[M+H-H2O]+ 225.08509 142.0
[M+HCOO]- 287.08603 166.5
[M+CH3COO]- 301.10168 194.0
[M+Na-2H]- 263.06250 150.2
[M]+ 242.08728 144.0
[M]- 242.08838 144.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe