CID 246815

1-(piperidin-1-yl)nonan-1-one

Structural Information

Molecular Formula
C14H27NO
SMILES
CCCCCCCCC(=O)N1CCCCC1
InChI
InChI=1S/C14H27NO/c1-2-3-4-5-6-8-11-14(16)15-12-9-7-10-13-15/h2-13H2,1H3
InChIKey
CZWBBMMYTINOOP-UHFFFAOYSA-N
Compound name
1-piperidin-1-ylnonan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

225.20926 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.21654 159.4
[M+Na]+ 248.19848 161.6
[M-H]- 224.20198 159.4
[M+NH4]+ 243.24308 175.9
[M+K]+ 264.17242 159.4
[M+H-H2O]+ 208.20652 151.8
[M+HCOO]- 270.20746 176.0
[M+CH3COO]- 284.22311 191.5
[M+Na-2H]- 246.18393 160.6
[M]+ 225.20871 157.3
[M]- 225.20981 157.3
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.