CID 503974

(2r,3r,4r,5s)-1-[(3s)-3,7-dimethylnonyl]-2-(hydroxymethyl)piperidine-3,4,5-triol

Structural Information

Molecular Formula
C17H35NO4
SMILES
CCC(C)CCC[C@H](C)CCN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O
InChI
InChI=1S/C17H35NO4/c1-4-12(2)6-5-7-13(3)8-9-18-10-15(20)17(22)16(21)14(18)11-19/h12-17,19-22H,4-11H2,1-3H3/t12?,13-,14+,15-,16+,17+/m0/s1
InChIKey
ODFYIBHFSMOLST-QLTRYCAESA-N
Compound name
(2R,3R,4R,5S)-1-[(3S)-3,7-dimethylnonyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

317.25662 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.26390 182.7
[M+Na]+ 340.24584 184.9
[M-H]- 316.24934 178.1
[M+NH4]+ 335.29044 193.6
[M+K]+ 356.21978 181.5
[M+H-H2O]+ 300.25388 176.4
[M+HCOO]- 362.25482 191.6
[M+CH3COO]- 376.27047 204.2
[M+Na-2H]- 338.23129 176.7
[M]+ 317.25607 180.4
[M]- 317.25717 180.4
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.