CID 201518

6139-35-1

Structural Information

Molecular Formula
C15H27NO
SMILES
CCCCC1(CCCC(=O)N1)C2CCCCC2
InChI
InChI=1S/C15H27NO/c1-2-3-11-15(12-7-10-14(17)16-15)13-8-5-4-6-9-13/h13H,2-12H2,1H3,(H,16,17)
InChIKey
SMGPLDWHAPWGSP-UHFFFAOYSA-N
Compound name
6-butyl-6-cyclohexylpiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.20926 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.21654 161.5
[M+Na]+ 260.19848 163.1
[M-H]- 236.20198 163.1
[M+NH4]+ 255.24308 178.4
[M+K]+ 276.17242 159.5
[M+H-H2O]+ 220.20652 153.8
[M+HCOO]- 282.20746 174.3
[M+CH3COO]- 296.22311 189.1
[M+Na-2H]- 258.18393 162.6
[M]+ 237.20871 152.2
[M]- 237.20981 152.2
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.