CID 10404073

Spectaline

Structural Information

Molecular Formula
C20H39NO2
SMILES
C[C@H]1[C@H](CC[C@H](N1)CCCCCCCCCCCCC(=O)C)O
InChI
InChI=1S/C20H39NO2/c1-17(22)13-11-9-7-5-3-4-6-8-10-12-14-19-15-16-20(23)18(2)21-19/h18-21,23H,3-16H2,1-2H3/t18-,19+,20-/m0/s1
InChIKey
SMOKZFNZPZHGMX-ZCNNSNEGSA-N
Compound name
14-[(2R,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]tetradecan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

14
Patents

325.29807 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.30535 188.7
[M+Na]+ 348.28729 189.3
[M-H]- 324.29079 185.5
[M+NH4]+ 343.33189 200.2
[M+K]+ 364.26123 184.4
[M+H-H2O]+ 308.29533 180.9
[M+HCOO]- 370.29627 200.5
[M+CH3COO]- 384.31192 209.3
[M+Na-2H]- 346.27274 184.5
[M]+ 325.29752 187.4
[M]- 325.29862 187.4
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