CID 42608373

Prosafrinine

Structural Information

Molecular Formula
C17H33NO2
SMILES
CCC(=O)CCCCCCCC[C@@H]1CC[C@@H]([C@@H](N1)C)O
InChI
InChI=1S/C17H33NO2/c1-3-16(19)11-9-7-5-4-6-8-10-15-12-13-17(20)14(2)18-15/h14-15,17-18,20H,3-13H2,1-2H3/t14-,15+,17-/m0/s1
InChIKey
FNYMOMSUWLCHBY-UXLLHSPISA-N
Compound name
11-[(2R,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]undecan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

283.25113 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.25841 175.7
[M+Na]+ 306.24035 177.5
[M-H]- 282.24385 173.0
[M+NH4]+ 301.28495 188.9
[M+K]+ 322.21429 173.3
[M+H-H2O]+ 266.24839 168.4
[M+HCOO]- 328.24933 188.4
[M+CH3COO]- 342.26498 200.4
[M+Na-2H]- 304.22580 173.0
[M]+ 283.25058 173.2
[M]- 283.25168 173.2
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

No patent data available for this compound.