CID 503976

(2r,3r,4r,5s)-1-(8,8-dimethylnonyl)-2-(hydroxymethyl)piperidine-3,4,5-triol

Structural Information

Molecular Formula
C17H35NO4
SMILES
CC(C)(C)CCCCCCCN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O
InChI
InChI=1S/C17H35NO4/c1-17(2,3)9-7-5-4-6-8-10-18-11-14(20)16(22)15(21)13(18)12-19/h13-16,19-22H,4-12H2,1-3H3/t13-,14+,15-,16-/m1/s1
InChIKey
QLQCQBQVNINKEE-QKPAOTATSA-N
Compound name
(2R,3R,4R,5S)-1-(8,8-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

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.26390 183.1
[M+Na]+ 340.24584 186.2
[M-H]- 316.24934 178.7
[M+NH4]+ 335.29044 194.4
[M+K]+ 356.21978 182.3
[M+H-H2O]+ 300.25388 177.2
[M+HCOO]- 362.25482 192.5
[M+CH3COO]- 376.27047 202.2
[M+Na-2H]- 338.23129 180.5
[M]+ 317.25607 181.5
[M]- 317.25717 181.5
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.