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]+ 226.216536 159.4
[M+Na]+ 248.198478 161.6
[M-H]- 224.201984 159.4
[M+NH4]+ 243.243083 175.9
[M+K]+ 264.172418 159.4
[M+H-H2O]+ 208.206520 151.8
[M+HCOO]- 270.207461 176.0
[M+CH3COO]- 284.223111 191.5
[M+Na-2H]- 246.183926 160.6
[M]+ 225.20871142 157.3
[M]- 225.20980858 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

literature stripe

Patent stripe

patents stripe