CID 201026

Piperidine, 1-(2-propylvaleryl)-

Structural Information

Molecular Formula
C13H25NO
SMILES
CCCC(CCC)C(=O)N1CCCCC1
InChI
InChI=1S/C13H25NO/c1-3-8-12(9-4-2)13(15)14-10-6-5-7-11-14/h12H,3-11H2,1-2H3
InChIKey
OQQCTKXMRYGFFX-UHFFFAOYSA-N
Compound name
1-piperidin-1-yl-2-propylpentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.19362 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.20090 154.4
[M+Na]+ 234.18284 163.5
[M+NH4]+ 229.22744 161.9
[M+K]+ 250.15678 157.3
[M-H]- 210.18634 155.1
[M+Na-2H]- 232.16829 157.6
[M]+ 211.19307 155.6
[M]- 211.19417 155.6
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.