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 155.0
[M+Na]+ 234.18284 157.4
[M-H]- 210.18634 155.4
[M+NH4]+ 229.22744 172.0
[M+K]+ 250.15678 156.0
[M+H-H2O]+ 194.19088 147.8
[M+HCOO]- 256.19182 171.0
[M+CH3COO]- 270.20747 189.3
[M+Na-2H]- 232.16829 155.5
[M]+ 211.19307 151.9
[M]- 211.19417 151.9
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.