CID 4124050

3,3,4,4,5,5,6,6,6-nonafluoro-2-hydroxy-n,n~2~-dimethylnorleucinamide

Structural Information

Molecular Formula
C8H9F9N2O2
SMILES
CNC(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(NC)O
InChI
InChI=1S/C8H9F9N2O2/c1-18-3(20)4(21,19-2)5(9,10)6(11,12)7(13,14)8(15,16)17/h19,21H,1-2H3,(H,18,20)
InChIKey
FZOUABSFDUBWEC-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,6-nonafluoro-2-hydroxy-N-methyl-2-(methylamino)hexanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

336.05203 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.05931 160.5
[M+Na]+ 359.04125 167.1
[M-H]- 335.04475 148.8
[M+NH4]+ 354.08585 172.2
[M+K]+ 375.01519 165.2
[M+H-H2O]+ 319.04929 149.6
[M+HCOO]- 381.05023 166.4
[M+CH3COO]- 395.06588 211.1
[M+Na-2H]- 357.02670 165.1
[M]+ 336.05148 145.0
[M]- 336.05258 145.0
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.