CID 42608371

Prosopinine

Structural Information

Molecular Formula
C16H33NO3
SMILES
CCC(CCCCCCC[C@@H]1CC[C@H]([C@H](N1)CO)O)O
InChI
InChI=1S/C16H33NO3/c1-2-14(19)9-7-5-3-4-6-8-13-10-11-16(20)15(12-18)17-13/h13-20H,2-12H2,1H3/t13-,14?,15-,16-/m1/s1
InChIKey
SEUBYHFHBZVRCC-QGAIPKOMSA-N
Compound name
(2R,3R,6R)-6-(8-hydroxydecyl)-2-(hydroxymethyl)piperidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

287.24603 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.253306 176.2
[M+Na]+ 310.235248 177.2
[M-H]- 286.238754 170.9
[M+NH4]+ 305.279853 187.8
[M+K]+ 326.209188 172.7
[M+H-H2O]+ 270.243290 169.3
[M+HCOO]- 332.244231 186.2
[M+CH3COO]- 346.259881 195.4
[M+Na-2H]- 308.220696 173.1
[M]+ 287.24548142 171.8
[M]- 287.24657858 171.8
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