CID 16727512

(5,5,5-trifpentyl)dnj

Structural Information

Molecular Formula
C11H20F3NO4
SMILES
C1[C@@H]([C@H]([C@@H]([C@H](N1CCCCC(F)(F)F)CO)O)O)O
InChI
InChI=1S/C11H20F3NO4/c12-11(13,14)3-1-2-4-15-5-8(17)10(19)9(18)7(15)6-16/h7-10,16-19H,1-6H2/t7-,8+,9-,10-/m1/s1
InChIKey
PJYPZTVAKFXTBQ-UTINFBMNSA-N
Compound name
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-(5,5,5-trifluoropentyl)piperidine-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

287.13443 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.14171 164.6
[M+Na]+ 310.12365 170.3
[M-H]- 286.12715 157.0
[M+NH4]+ 305.16825 176.6
[M+K]+ 326.09759 166.3
[M+H-H2O]+ 270.13169 156.6
[M+HCOO]- 332.13263 172.6
[M+CH3COO]- 346.14828 192.4
[M+Na-2H]- 308.10910 163.1
[M]+ 287.13388 157.1
[M]- 287.13498 157.1
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