CID 16727511

(4,4,4-trifbu)dnj

Structural Information

Molecular Formula
C10H18F3NO4
SMILES
C1[C@@H]([C@H]([C@@H]([C@H](N1CCCC(F)(F)F)CO)O)O)O
InChI
InChI=1S/C10H18F3NO4/c11-10(12,13)2-1-3-14-4-7(16)9(18)8(17)6(14)5-15/h6-9,15-18H,1-5H2/t6-,7+,8-,9-/m1/s1
InChIKey
YPBJLHXXZZNYIP-BZNPZCIMSA-N
Compound name
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-(4,4,4-trifluorobutyl)piperidine-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

20
Patents

273.1188 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.12608 160.1
[M+Na]+ 296.10802 166.3
[M-H]- 272.11152 152.7
[M+NH4]+ 291.15262 172.8
[M+K]+ 312.08196 162.5
[M+H-H2O]+ 256.11606 152.4
[M+HCOO]- 318.11700 168.5
[M+CH3COO]- 332.13265 189.4
[M+Na-2H]- 294.09347 159.2
[M]+ 273.11825 152.3
[M]- 273.11935 152.3
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