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

2
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

patents stripe