CID 3047188

Decyl 1-piperidineacetate hydrochloride

Structural Information

Molecular Formula

C₁₇H₃₃NO₂

SMILES

CCCCCCCCCCOC(=O)CN1CCCCC1

InChI

InChI=1S/C17H33NO2/c1-2-3-4-5-6-7-8-12-15-20-17(19)16-18-13-10-9-11-14-18/h2-16H2,1H3

InChIKey

URQOCTOQSUTXAX-UHFFFAOYSA-N

Compound name

decyl 2-piperidin-1-ylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 283.25113 Da
Monoisotopic Mass: 5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	284.25841	175.7
[M+Na]+	306.24035	176.6
[M-H]-	282.24385	175.1
[M+NH4]+	301.28495	189.8
[M+K]+	322.21429	174.2
[M+H-H2O]+	266.24839	167.3
[M+HCOO]-	328.24933	191.5
[M+CH3COO]-	342.26498	202.5
[M+Na-2H]-	304.22580	175.3
[M]+	283.25058	176.2
[M]-	283.25168	176.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe