CID 448269

4r-fluoro-n6-ethanimidoyl-l-lysine

Structural Information

Molecular Formula
C8H16FN3O2
SMILES
CC(=NCC[C@H](C[C@@H](C(=O)O)N)F)N
InChI
InChI=1S/C8H16FN3O2/c1-5(10)12-3-2-6(9)4-7(11)8(13)14/h6-7H,2-4,11H2,1H3,(H2,10,12)(H,13,14)/t6-,7+/m1/s1
InChIKey
LTCJJIZTKXNFGK-RQJHMYQMSA-N
Compound name
(2S,4R)-2-amino-6-(1-aminoethylideneamino)-4-fluorohexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

205.12265 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.12993 148.1
[M+Na]+ 228.11187 151.5
[M-H]- 204.11537 145.6
[M+NH4]+ 223.15647 165.1
[M+K]+ 244.08581 151.4
[M+H-H2O]+ 188.11991 140.7
[M+HCOO]- 250.12085 168.8
[M+CH3COO]- 264.13650 194.8
[M+Na-2H]- 226.09732 146.7
[M]+ 205.12210 143.0
[M]- 205.12320 143.0
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