CID 503979

(2r,3r,4r,5s)-1-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)butyl]-2-(hydroxymethyl)piperidine-3,4,5-triol

Structural Information

Molecular Formula
C15H29NO6
SMILES
CC1(OCC(O1)CCCCN2C[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O)C
InChI
InChI=1S/C15H29NO6/c1-15(2)21-9-10(22-15)5-3-4-6-16-7-12(18)14(20)13(19)11(16)8-17/h10-14,17-20H,3-9H2,1-2H3/t10?,11-,12+,13-,14-/m1/s1
InChIKey
VFKPSVYKJYSCHM-ZLMOABSSSA-N
Compound name
(2R,3R,4R,5S)-1-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)butyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

319.1995 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.20678 176.4
[M+Na]+ 342.18872 180.6
[M-H]- 318.19222 177.0
[M+NH4]+ 337.23332 188.2
[M+K]+ 358.16266 179.7
[M+H-H2O]+ 302.19676 171.1
[M+HCOO]- 364.19770 185.7
[M+CH3COO]- 378.21335 198.9
[M+Na-2H]- 340.17417 175.0
[M]+ 319.19895 175.1
[M]- 319.20005 175.1
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

No patent data available for this compound.