CID 501393

N-octyl-dgj

Structural Information

Molecular Formula
C14H29NO4
SMILES
CCCCCCCCN1C[C@@H]([C@H]([C@H]([C@H]1CO)O)O)O
InChI
InChI=1S/C14H29NO4/c1-2-3-4-5-6-7-8-15-9-12(17)14(19)13(18)11(15)10-16/h11-14,16-19H,2-10H2,1H3/t11-,12+,13+,14-/m1/s1
InChIKey
VGSQNAQYXKTCLP-ZOBORPQBSA-N
Compound name
(2R,3S,4R,5S)-2-(hydroxymethyl)-1-octylpiperidine-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

275.20966 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.21694 169.5
[M+Na]+ 298.19888 173.4
[M-H]- 274.20238 165.3
[M+NH4]+ 293.24348 182.2
[M+K]+ 314.17282 169.6
[M+H-H2O]+ 258.20692 163.3
[M+HCOO]- 320.20786 181.4
[M+CH3COO]- 334.22351 193.3
[M+Na-2H]- 296.18433 167.4
[M]+ 275.20911 167.4
[M]- 275.21021 167.4
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.