CID 9802484

Ut-231b free base

Structural Information

Molecular Formula
C14H29NO4
SMILES
CCOCCCCCCN1C[C@@H]([C@H]([C@H]([C@H]1C)O)O)O
InChI
InChI=1S/C14H29NO4/c1-3-19-9-7-5-4-6-8-15-10-12(16)14(18)13(17)11(15)2/h11-14,16-18H,3-10H2,1-2H3/t11-,12+,13+,14-/m1/s1
InChIKey
BBIRATBJZBAXFS-ZOBORPQBSA-N
Compound name
(2R,3S,4R,5S)-1-(6-ethoxyhexyl)-2-methylpiperidine-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

44
Patents

275.20966 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.21694 168.9
[M+Na]+ 298.19888 173.2
[M-H]- 274.20238 166.0
[M+NH4]+ 293.24348 182.3
[M+K]+ 314.17282 170.2
[M+H-H2O]+ 258.20692 162.4
[M+HCOO]- 320.20786 182.3
[M+CH3COO]- 334.22351 195.6
[M+Na-2H]- 296.18433 167.3
[M]+ 275.20911 168.6
[M]- 275.21021 168.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe