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

9
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

literature stripe

Patent stripe

patents stripe