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

literature stripe

Patent stripe

patents stripe