CID 74819553

Ns00076860

Structural Information

Molecular Formula
C17H33NO2
SMILES
CCC(=O)CCCCCCCCC1CCC(C(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
InChIKey
FNYMOMSUWLCHBY-UHFFFAOYSA-N
Compound name
11-(5-hydroxy-6-methylpiperidin-2-yl)undecan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.25113 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.258406 175.7
[M+Na]+ 306.240348 177.5
[M-H]- 282.243854 173.0
[M+NH4]+ 301.284953 188.9
[M+K]+ 322.214288 173.3
[M+H-H2O]+ 266.248390 168.4
[M+HCOO]- 328.249331 188.4
[M+CH3COO]- 342.264981 200.4
[M+Na-2H]- 304.225796 173.0
[M]+ 283.25058142 173.2
[M]- 283.25167858 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.