CID 43167830

4-(pentyloxy)piperidine

Structural Information

Molecular Formula

C₁₀H₂₁NO

SMILES

CCCCCOC1CCNCC1

InChI

InChI=1S/C10H21NO/c1-2-3-4-9-12-10-5-7-11-8-6-10/h10-11H,2-9H2,1H3

InChIKey

VHJZNTFGWYHPSK-UHFFFAOYSA-N

Compound name

4-pentoxypiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 171.16231 Da
Monoisotopic Mass: 2.0
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]+	172.169586	142.6
[M+Na]+	194.151528	146.0
[M-H]-	170.155034	141.8
[M+NH4]+	189.196133	160.7
[M+K]+	210.125468	144.1
[M+H-H2O]+	154.159570	135.9
[M+HCOO]-	216.160511	159.8
[M+CH3COO]-	230.176161	177.5
[M+Na-2H]-	192.136976	146.7
[M]+	171.16176142	138.6
[M]-	171.16285858	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe