CID 475537

(2r,3r,4r,5s)-1-decyl-2-(hydroxymethyl)piperidine-3,4,5-triol

Structural Information

Molecular Formula
C16H33NO4
SMILES
CCCCCCCCCCN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O
InChI
InChI=1S/C16H33NO4/c1-2-3-4-5-6-7-8-9-10-17-11-14(19)16(21)15(20)13(17)12-18/h13-16,18-21H,2-12H2,1H3/t13-,14+,15-,16-/m1/s1
InChIKey
YVFCGMYUONDJIZ-QKPAOTATSA-N
Compound name
(2R,3R,4R,5S)-1-decyl-2-(hydroxymethyl)piperidine-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

21
Patents

303.24097 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.24825 178.1
[M+Na]+ 326.23019 181.1
[M-H]- 302.23369 173.5
[M+NH4]+ 321.27479 189.7
[M+K]+ 342.20413 176.8
[M+H-H2O]+ 286.23823 171.5
[M+HCOO]- 348.23917 189.3
[M+CH3COO]- 362.25482 199.3
[M+Na-2H]- 324.21564 175.0
[M]+ 303.24042 176.7
[M]- 303.24152 176.7
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.